4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

C15H28N4O2 — CID 82943791

IUPAC4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CCOCC)CCOCC)nc(C)n1
InChIInChI=1S/C15H28N4O2/c1-5-16-14-12-15(18-13(4)17-14)19(8-10-20-6-2)9-11-21-7-3/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyZPJTYOVPYQZWKS-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.10
Rot. Bonds11

About 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (PubChem CID 82943791) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
PubChem CID82943791
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CCOCC)CCOCC)nc(C)n1
InChIInChI=1S/C15H28N4O2/c1-5-16-14-12-15(18-13(4)17-14)19(8-10-20-6-2)9-11-21-7-3/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyZPJTYOVPYQZWKS-UHFFFAOYSA-N
XLogP2.10
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80957495
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 102998975
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80942751
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
6-N-ethyl-4-N,4-N-bis(2-methoxyethyl)-2-propylpyrimidine-4,6-diamine
CID 80941613
2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
CID 107495156
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345
6-[2-(diethylamino)ethoxy]-N-ethyl-2-methylpyrimidin-4-amine
CID 80871813
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657016
6-N-ethyl-4-N,2-dimethyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 80817435
6-N-benzyl-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112871547
6-(2-aminoethoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 121206106

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (CID 82943791) is 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is CCNc1cc(N(CCOCC)CCOCC)nc(C)n1.
What is the InChIKey of 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is ZPJTYOVPYQZWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-16-14-12-15(18-13(4)17-14)19(8-10-20-6-2)9-11-21-7-3/h12H,5-11H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 296.42 g/mol, XLogP of 2.10, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 82943791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).