2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine

C22H26N4O — CID 112938004

IUPAC2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(OC)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-5-15-26(2)22-24-20(17-9-7-6-8-10-17)16-21(25-22)23-18-11-13-19(27-3)14-12-18/h6-14,16H,4-5,15H2,1-3H3,(H,23,24,25)
InChIKeyKKJJNNOPFKRRMN-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.13
Rot. Bonds8

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

2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112938004) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112938004
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(OC)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C22H26N4O/c1-4-5-15-26(2)22-24-20(17-9-7-6-8-10-17)16-21(25-22)23-18-11-13-19(27-3)14-12-18/h6-14,16H,4-5,15H2,1-3H3,(H,23,24,25)
InChIKeyKKJJNNOPFKRRMN-UHFFFAOYSA-N
XLogP5.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938007
4-[[2-[butyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938019
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
2-N,2-N-diethyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937720
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255
2-N-butyl-2-N,6-dimethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925722

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine (CID 112938004) is 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine is CCCCN(C)c1nc(Nc2ccc(OC)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is KKJJNNOPFKRRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-5-15-26(2)22-24-20(17-9-7-6-8-10-17)16-21(25-22)23-18-11-13-19(27-3)14-12-18/h6-14,16H,4-5,15H2,1-3H3,(H,23,24,25).
What are the key properties of 2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.13, 8 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-methyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112938004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).