N-benzhydryl-4-methylpyrimidin-2-amine

C18H17N3 — CID 62958031

IUPACN-benzhydryl-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-12-13-19-18(20-14)21-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,17H,1H3,(H,19,20,21)
InChIKeyDCUVQOPBDPPJHP-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.99
Rot. Bonds4

About N-benzhydryl-4-methylpyrimidin-2-amine

N-benzhydryl-4-methylpyrimidin-2-amine (PubChem CID 62958031) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-benzhydryl-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzhydryl-4-methylpyrimidin-2-amine
PubChem CID62958031
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-benzhydryl-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C18H17N3/c1-14-12-13-19-18(20-14)21-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,17H,1H3,(H,19,20,21)
InChIKeyDCUVQOPBDPPJHP-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-1-phenylethyl)-4-methylpyrimidin-2-amine
CID 65029267
N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 133356956
1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
CID 70811148
1-benzhydryl-3-(4-methylpyrimidin-2-yl)thiourea
CID 100559570
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
N-but-3-en-2-yl-4-methylpyrimidin-2-amine
CID 115691968
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
3-[(4-methylpyrimidin-2-yl)amino]-2-phenylpropanoic acid
CID 62960699
(4-methylpyrimidin-2-yl)-phenylmethanethiol
CID 175344618
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-methylpyrimidin-2-amine?
The IUPAC name of N-benzhydryl-4-methylpyrimidin-2-amine (CID 62958031) is N-benzhydryl-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzhydryl-4-methylpyrimidin-2-amine?
The canonical SMILES for N-benzhydryl-4-methylpyrimidin-2-amine is Cc1ccnc(NC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-benzhydryl-4-methylpyrimidin-2-amine?
The InChIKey is DCUVQOPBDPPJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-12-13-19-18(20-14)21-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,17H,1H3,(H,19,20,21).
What are the key properties of N-benzhydryl-4-methylpyrimidin-2-amine?
N-benzhydryl-4-methylpyrimidin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-methylpyrimidin-2-amine is sourced from PubChem (CID 62958031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).