5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine

C13H23ClN4O2 — CID 82952991

IUPAC5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCOCCN(CCOCC)c1nc(NC)ncc1Cl
InChIInChI=1S/C13H23ClN4O2/c1-4-19-8-6-18(7-9-20-5-2)12-11(14)10-16-13(15-3)17-12/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyVRRPLAVLCUVNJU-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.05
Rot. Bonds10

About 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine

5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 82952991) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID82952991
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCOCCN(CCOCC)c1nc(NC)ncc1Cl
InChIInChI=1S/C13H23ClN4O2/c1-4-19-8-6-18(7-9-20-5-2)12-11(14)10-16-13(15-3)17-12/h10H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyVRRPLAVLCUVNJU-UHFFFAOYSA-N
XLogP2.05
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.05
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

5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80909247
5-chloro-4-N-(2-ethoxyethyl)-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 81067674
5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774761
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727
5-chloro-4-N-(cyclopropylmethyl)-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80799164
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
5-chloro-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845870
5-chloro-2-N,4-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667666
5-chloro-N-(2-ethoxyethyl)-N-ethyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926489

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine (CID 82952991) is 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine is CCOCCN(CCOCC)c1nc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is VRRPLAVLCUVNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O2/c1-4-19-8-6-18(7-9-20-5-2)12-11(14)10-16-13(15-3)17-12/h10H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 302.81 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 82952991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).