4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine

C24H24N6 — CID 108773997

IUPAC4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(Nc3nc(C)nc(C)c3Cc3ccccc3)cc2)ncn1
InChIInChI=1S/C24H24N6/c1-16-13-23(26-15-25-16)29-20-9-11-21(12-10-20)30-24-22(17(2)27-18(3)28-24)14-19-7-5-4-6-8-19/h4-13,15H,14H2,1-3H3,(H,25,26,29)(H,27,28,30)
InChIKeyHMNHATAIVHVXFC-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.27
Rot. Bonds6

About 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine

4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 108773997) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine
PubChem CID108773997
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2ccc(Nc3nc(C)nc(C)c3Cc3ccccc3)cc2)ncn1
InChIInChI=1S/C24H24N6/c1-16-13-23(26-15-25-16)29-20-9-11-21(12-10-20)30-24-22(17(2)27-18(3)28-24)14-19-7-5-4-6-8-19/h4-13,15H,14H2,1-3H3,(H,25,26,29)(H,27,28,30)
InChIKeyHMNHATAIVHVXFC-UHFFFAOYSA-N
XLogP5.27
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
CID 172636149
5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773237
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779589
5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 23605395
N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108776567
5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779811
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779643
5-[(4-chlorophenyl)methyl]-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 108778080
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772072
6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133398088
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine (CID 108773997) is 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine is Cc1cc(Nc2ccc(Nc3nc(C)nc(C)c3Cc3ccccc3)cc2)ncn1.
What is the InChIKey of 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is HMNHATAIVHVXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-16-13-23(26-15-25-16)29-20-9-11-21(12-10-20)30-24-22(17(2)27-18(3)28-24)14-19-7-5-4-6-8-19/h4-13,15H,14H2,1-3H3,(H,25,26,29)(H,27,28,30).
What are the key properties of 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine?
4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 396.50 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 108773997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).