5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

C27H27N3 — CID 139208756

IUPAC5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H27N3/c1-19(2)24-11-7-8-12-25(24)27-28-17-20(3)26(30-27)29-18-21-13-15-23(16-14-21)22-9-5-4-6-10-22/h4-17,19H,18H2,1-3H3,(H,28,29,30)
InChIKeyYPOLYEAWIMDJKF-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.85
Rot. Bonds6

About 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine

5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (PubChem CID 139208756) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
PubChem CID139208756
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
SMILESCc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H27N3/c1-19(2)24-11-7-8-12-25(24)27-28-17-20(3)26(30-27)29-18-21-13-15-23(16-14-21)22-9-5-4-6-10-22/h4-17,19H,18H2,1-3H3,(H,28,29,30)
InChIKeyYPOLYEAWIMDJKF-UHFFFAOYSA-N
XLogP6.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Msx-122
CID 11687907
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328118
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
5-[4-(2-Carbamimidoylpyrimidin-5-yl)phenyl]pyrimidine-2-carboximidamide
CID 24752324
5-[4-(4-Carbamimidoylphenyl)phenyl]pyrimidine-2-carboximidamide
CID 24752326
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
2,5-Diphenylpyrimidine
CID 755305
4-Pyrimidin-2-ylbenzylamine
CID 24229559
5-Phenylpyrimidin-4-amine
CID 233337
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
5-(Aminomethyl)-6-(2-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10286219

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine (CID 139208756) is 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
The InChIKey is YPOLYEAWIMDJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-19(2)24-11-7-8-12-25(24)27-28-17-20(3)26(30-27)29-18-21-13-15-23(16-14-21)22-9-5-4-6-10-22/h4-17,19H,18H2,1-3H3,(H,28,29,30).
What are the key properties of 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine?
5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine has a molecular weight of 393.53 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 139208756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).