2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine

C17H24N4O — CID 112925744

IUPAC2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-5-6-11-21(3)17-18-13(2)12-16(20-17)19-14-7-9-15(22-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,18,19,20)
InChIKeyUZCHSCOEVFFQAQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.77
Rot. Bonds7

About 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine

2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112925744) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112925744
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(C)cc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O/c1-5-6-11-21(3)17-18-13(2)12-16(20-17)19-14-7-9-15(22-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,18,19,20)
InChIKeyUZCHSCOEVFFQAQ-UHFFFAOYSA-N
XLogP3.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925722
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
2-N-butyl-4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925782
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
CID 16910832
2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112900705
2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938007
3-N-butyl-5-N-(3,4-dimethoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960196
4-N-(4-bromophenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921635
4-[[2-[butyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938019
2-N-butyl-4-N-(furan-2-ylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112915169
N-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-4-amine
CID 112925591
4-[[2-(dipropylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112926457

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine (CID 112925744) is 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is CCCCN(C)c1nc(C)cc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is UZCHSCOEVFFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-5-6-11-21(3)17-18-13(2)12-16(20-17)19-14-7-9-15(22-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,18,19,20).
What are the key properties of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine?
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112925744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).