1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride

C18H18ClN3 — CID 132893916

IUPAC1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C18H17N3.ClH/c1-3-7-15(8-4-1)11-19-12-16-13-20-18(21-14-16)17-9-5-2-6-10-17;/h1-10,13-14,19H,11-12H2;1H
InChIKeyPASFMCKLAHUJFT-UHFFFAOYSA-N
MW311.82 g/mol
LogP3.86
Rot. Bonds5

About 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride

1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride (PubChem CID 132893916) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
PubChem CID132893916
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
SMILESCl.c1ccc(CNCc2cnc(-c3ccccc3)nc2)cc1
InChIInChI=1S/C18H17N3.ClH/c1-3-7-15(8-4-1)11-19-12-16-13-20-18(21-14-16)17-9-5-2-6-10-17;/h1-10,13-14,19H,11-12H2;1H
InChIKeyPASFMCKLAHUJFT-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389
2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
CID 91671167
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 46990087
2-phenyl-5-phenylmethoxypyrimidine
CID 151774114
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 46993388
2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
CID 57330080
3-(2-phenylpyrimidin-5-yl)propan-1-amine
CID 83886057

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride (CID 132893916) is 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride is Cl.c1ccc(CNCc2cnc(-c3ccccc3)nc2)cc1.
What is the InChIKey of 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride?
The InChIKey is PASFMCKLAHUJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.ClH/c1-3-7-15(8-4-1)11-19-12-16-13-20-18(21-14-16)17-9-5-2-6-10-17;/h1-10,13-14,19H,11-12H2;1H.
What are the key properties of 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride?
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 132893916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).