2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine

C18H17N3 — CID 43723286

IUPAC2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine
SMILESCC(Nc1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C18H17N3/c1-14(15-8-4-2-5-9-15)21-17-12-19-18(20-13-17)16-10-6-3-7-11-16/h2-14,21H,1H3
InChIKeyMLQCGNACKAPURH-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.32
Rot. Bonds4

About 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine

2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine (PubChem CID 43723286) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine
PubChem CID43723286
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine
SMILESCC(Nc1cnc(-c2ccccc2)nc1)c1ccccc1
InChIInChI=1S/C18H17N3/c1-14(15-8-4-2-5-9-15)21-17-12-19-18(20-13-17)16-10-6-3-7-11-16/h2-14,21H,1H3
InChIKeyMLQCGNACKAPURH-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol
CID 65337926
methyl 2-[(2-phenylpyrimidin-5-yl)amino]propanoate
CID 66172915
N-(1-cyclopentylethyl)-2-phenylpyrimidin-5-amine
CID 62633534
N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine
CID 43786661
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
3,5-difluoro-N-(1-phenylethyl)aniline
CID 43195985
2-phenyl-N-(1-phenylethyl)aniline
CID 43078706
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709265

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine?
The IUPAC name of 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine (CID 43723286) is 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine?
The canonical SMILES for 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine is CC(Nc1cnc(-c2ccccc2)nc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine?
The InChIKey is MLQCGNACKAPURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14(15-8-4-2-5-9-15)21-17-12-19-18(20-13-17)16-10-6-3-7-11-16/h2-14,21H,1H3.
What are the key properties of 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine?
2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine has a molecular weight of 275.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine is sourced from PubChem (CID 43723286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).