6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine

C17H24N4O2 — CID 112867967

IUPAC6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(OC)cc2OC)nc(C)n1
InChIInChI=1S/C17H24N4O2/c1-5-6-9-18-16-11-17(20-12(2)19-16)21-14-8-7-13(22-3)10-15(14)23-4/h7-8,10-11H,5-6,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyUCOKOPWBDMLLTC-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.76
Rot. Bonds8

About 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine

6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112867967) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112867967
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(OC)cc2OC)nc(C)n1
InChIInChI=1S/C17H24N4O2/c1-5-6-9-18-16-11-17(20-12(2)19-16)21-14-8-7-13(22-3)10-15(14)23-4/h7-8,10-11H,5-6,9H2,1-4H3,(H2,18,19,20,21)
InChIKeyUCOKOPWBDMLLTC-UHFFFAOYSA-N
XLogP3.76
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.76
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

6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879752
4-N-(2,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874245
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
N-(2,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 20899006
6-N-butyl-2-methyl-4-N-(2-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112868003
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
N-(2,4-dimethoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846755
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878650
6-N-(2,4-dimethoxyphenyl)-2-methyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112878647
4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
4-N-(2-ethoxyphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875858

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine (CID 112867967) is 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccc(OC)cc2OC)nc(C)n1.
What is the InChIKey of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is UCOKOPWBDMLLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-6-9-18-16-11-17(20-12(2)19-16)21-14-8-7-13(22-3)10-15(14)23-4/h7-8,10-11H,5-6,9H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine?
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).