6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C18H18N4 — CID 50957101

IUPAC6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-14-13-17(20-12-9-15-7-10-19-11-8-15)22-18(21-14)16-5-3-2-4-6-16/h2-8,10-11,13H,9,12H2,1H3,(H,20,21,22)
InChIKeyFHNGAFCSIKETPS-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.50
Rot. Bonds5

About 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 50957101) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID50957101
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-14-13-17(20-12-9-15-7-10-19-11-8-15)22-18(21-14)16-5-3-2-4-6-16/h2-8,10-11,13H,9,12H2,1H3,(H,20,21,22)
InChIKeyFHNGAFCSIKETPS-UHFFFAOYSA-N
XLogP3.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 133305899
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
6-N-[2-(dimethylamino)ethyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112880717
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
6-N-butyl-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112879731
6-N-(2-methoxyethyl)-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112880263
4-N-(3,4-dimethylphenyl)-2-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881441
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 50957101) is 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is Cc1cc(NCCc2ccncc2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is FHNGAFCSIKETPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-13-17(20-12-9-15-7-10-19-11-8-15)22-18(21-14)16-5-3-2-4-6-16/h2-8,10-11,13H,9,12H2,1H3,(H,20,21,22).
What are the key properties of 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 50957101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).