4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine

C17H24N4O2 — CID 112864137

IUPAC4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccc(OC)cc2OC)ncn1
InChIInChI=1S/C17H24N4O2/c1-4-5-6-9-18-16-11-17(20-12-19-16)21-14-8-7-13(22-2)10-15(14)23-3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,19,20,21)
InChIKeyGTBGJRMDSILDOK-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.84
Rot. Bonds9

About 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine

4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine (PubChem CID 112864137) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
PubChem CID112864137
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCNc1cc(Nc2ccc(OC)cc2OC)ncn1
InChIInChI=1S/C17H24N4O2/c1-4-5-6-9-18-16-11-17(20-12-19-16)21-14-8-7-13(22-2)10-15(14)23-3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,19,20,21)
InChIKeyGTBGJRMDSILDOK-UHFFFAOYSA-N
XLogP3.84
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864033
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864177
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867967
2,4-dimethoxy-N-pentylaniline
CID 28570496
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879752
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
5-(2,4-dimethoxyanilino)-N-pentylpyrazine-2-carboxamide
CID 109288056
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 133454545

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine (CID 112864137) is 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine is CCCCCNc1cc(Nc2ccc(OC)cc2OC)ncn1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine?
The InChIKey is GTBGJRMDSILDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-5-6-9-18-16-11-17(20-12-19-16)21-14-8-7-13(22-2)10-15(14)23-3/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine?
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).