2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine

C23H28N4O2 — CID 112938007

IUPAC2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(OC)c(OC)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H28N4O2/c1-5-6-14-27(2)23-25-19(17-10-8-7-9-11-17)16-22(26-23)24-18-12-13-20(28-3)21(15-18)29-4/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,25,26)
InChIKeyFVYBHMNXRXVQNX-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.14
Rot. Bonds9

About 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine

2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112938007) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112938007
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(OC)c(OC)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H28N4O2/c1-5-6-14-27(2)23-25-19(17-10-8-7-9-11-17)16-22(26-23)24-18-12-13-20(28-3)21(15-18)29-4/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,25,26)
InChIKeyFVYBHMNXRXVQNX-UHFFFAOYSA-N
XLogP5.14
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112938004
4-[[2-[butyl(methyl)amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112938019
3-N-butyl-5-N-(3,4-dimethoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960196
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
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
4-N-(3-chloro-4-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932590
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
2-N-benzyl-4-N-butyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933555

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine (CID 112938007) is 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine is CCCCN(C)c1nc(Nc2ccc(OC)c(OC)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is FVYBHMNXRXVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-6-14-27(2)23-25-19(17-10-8-7-9-11-17)16-22(26-23)24-18-12-13-20(28-3)21(15-18)29-4/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,25,26).
What are the key properties of 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine?
2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 392.50 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(3,4-dimethoxyphenyl)-2-N-methyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112938007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).