4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C24H23N5 — CID 112881441

IUPAC4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCc3ccncc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H23N5/c1-17-8-9-21(14-18(17)2)27-23-15-22(26-16-19-10-12-25-13-11-19)28-24(29-23)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H2,26,27,28,29)
InChIKeySRVWIHHVCQOSHJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.51
Rot. Bonds6

About 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112881441) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112881441
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCc3ccncc3)nc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C24H23N5/c1-17-8-9-21(14-18(17)2)27-23-15-22(26-16-19-10-12-25-13-11-19)28-24(29-23)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H2,26,27,28,29)
InChIKeySRVWIHHVCQOSHJ-UHFFFAOYSA-N
XLogP5.51
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
4-N-(3,4-dimethylphenyl)-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880429
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
4-N-(3-chloro-4-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873604
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881231
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
methyl 4-[[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112873631

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112881441) is 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NCc3ccncc3)nc(-c3ccccc3)n2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is SRVWIHHVCQOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-17-8-9-21(14-18(17)2)27-23-15-22(26-16-19-10-12-25-13-11-19)28-24(29-23)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 381.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112881441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).