2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine

C48H84ClN23O16P2 — CID 157116842

IUPAC2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCOCCOc1cc(N(C)C)nc(N)n1.CCOCCn1c(N)nc(N(C)C)cc1=O.CN(C)c1cc(=O)[nH]c(N)n1.CN(C)c1cc(=O)n(CCOCP(=O)(O)O)c(N)n1.CN(C)c1cc(OCCOCP(=O)(O)O)nc(N)n1.Nc1nc(Cl)cc(=O)[nH]1
InChIInChI=1S/2C10H18N4O2.2C9H17N4O5P.C6H10N4O.C4H4ClN3O/c1-4-15-5-6-16-9-7-8(14(2)3)12-10(11)13-9;1-4-16-6-5-14-9(15)7-8(13(2)3)12-10(14)11;1-13(2)7-5-8(12-9(10)11-7)18-4-3-17-6-19(14,15)16;1-12(2)7-5-8(14)13(9(10)11-7)3-4-18-6-19(15,16)17;1-10(2)4-3-5(11)9-6(7)8-4;5-2-1-3(9)8-4(6)7-2/h7H,4-6H2,1-3H3,(H2,11,12,13);7H,4-6H2,1-3H3,(H2,11,12);5H,3-4,6H2,1-2H3,(H2,10,11,12)(H2,14,15,16);5H,3-4,6H2,1-2H3,(H2,10,11)(H2,15,16,17);3H,1-2H3,(H3,7,8,9,11);1H,(H3,6,7,8,9)
InChIKeyAHMUFGCKYGHZPN-UHFFFAOYSA-N
MW1336.75 g/mol
LogP-1.41
Rot. Bonds25

About 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 157116842) has the molecular formula C48H84ClN23O16P2 and a molecular weight of 1336.75 g/mol. Its IUPAC name is 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID157116842
Molecular FormulaC48H84ClN23O16P2
Molecular Weight1336.75 g/mol
Exact Mass1335.56
IUPAC Name2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCCOCCOc1cc(N(C)C)nc(N)n1.CCOCCn1c(N)nc(N(C)C)cc1=O.CN(C)c1cc(=O)[nH]c(N)n1.CN(C)c1cc(=O)n(CCOCP(=O)(O)O)c(N)n1.CN(C)c1cc(OCCOCP(=O)(O)O)nc(N)n1.Nc1nc(Cl)cc(=O)[nH]1
InChIInChI=1S/2C10H18N4O2.2C9H17N4O5P.C6H10N4O.C4H4ClN3O/c1-4-15-5-6-16-9-7-8(14(2)3)12-10(11)13-9;1-4-16-6-5-14-9(15)7-8(13(2)3)12-10(14)11;1-13(2)7-5-8(12-9(10)11-7)18-4-3-17-6-19(14,15)16;1-12(2)7-5-8(14)13(9(10)11-7)3-4-18-6-19(15,16)17;1-10(2)4-3-5(11)9-6(7)8-4;5-2-1-3(9)8-4(6)7-2/h7H,4-6H2,1-3H3,(H2,11,12,13);7H,4-6H2,1-3H3,(H2,11,12);5H,3-4,6H2,1-2H3,(H2,10,11,12)(H2,14,15,16);5H,3-4,6H2,1-2H3,(H2,10,11)(H2,15,16,17);3H,1-2H3,(H3,7,8,9,11);1H,(H3,6,7,8,9)
InChIKeyAHMUFGCKYGHZPN-UHFFFAOYSA-N
XLogP-1.41
TPSA555.60 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001336.75
LogP ≤ 5-1.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 157116842) is 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine is CCOCCOc1cc(N(C)C)nc(N)n1.CCOCCn1c(N)nc(N(C)C)cc1=O.CN(C)c1cc(=O)[nH]c(N)n1.CN(C)c1cc(=O)n(CCOCP(=O)(O)O)c(N)n1.CN(C)c1cc(OCCOCP(=O)(O)O)nc(N)n1.Nc1nc(Cl)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is AHMUFGCKYGHZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N4O2.2C9H17N4O5P.C6H10N4O.C4H4ClN3O/c1-4-15-5-6-16-9-7-8(14(2)3)12-10(11)13-9;1-4-16-6-5-14-9(15)7-8(13(2)3)12-10(14)11;1-13(2)7-5-8(12-9(10)11-7)18-4-3-17-6-19(14,15)16;1-12(2)7-5-8(14)13(9(10)11-7)3-4-18-6-19(15,16)17;1-10(2)4-3-5(11)9-6(7)8-4;5-2-1-3(9)8-4(6)7-2/h7H,4-6H2,1-3H3,(H2,11,12,13);7H,4-6H2,1-3H3,(H2,11,12);5H,3-4,6H2,1-2H3,(H2,10,11,12)(H2,14,15,16);5H,3-4,6H2,1-2H3,(H2,10,11)(H2,15,16,17);3H,1-2H3,(H3,7,8,9,11);1H,(H3,6,7,8,9).
What are the key properties of 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 1336.75 g/mol, XLogP of -1.41, 25 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-1H-pyrimidin-6-one;2-amino-6-(dimethylamino)-3-(2-ethoxyethyl)pyrimidin-4-one;2-[2-amino-4-(dimethylamino)-6-oxopyrimidin-1-yl]ethoxymethylphosphonic acid;2-amino-4-(dimethylamino)-1H-pyrimidin-6-one;2-[2-amino-6-(dimethylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid;6-(2-ethoxyethoxy)-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 157116842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).