(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine

C18H17N3 — CID 86338233

IUPAC(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
SMILESc1ccc(CN[C@H](c2ccccc2)c2ncccn2)cc1
InChIInChI=1S/C18H17N3/c1-3-8-15(9-4-1)14-21-17(16-10-5-2-6-11-16)18-19-12-7-13-20-18/h1-13,17,21H,14H2/t17-/m1/s1
InChIKeyRYXYLOUWMHQXTQ-QGZVFWFLSA-N
MW275.36 g/mol
LogP3.36
Rot. Bonds5

About (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine

(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine (PubChem CID 86338233) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
PubChem CID86338233
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
SMILESc1ccc(CN[C@H](c2ccccc2)c2ncccn2)cc1
InChIInChI=1S/C18H17N3/c1-3-8-15(9-4-1)14-21-17(16-10-5-2-6-11-16)18-19-12-7-13-20-18/h1-13,17,21H,14H2/t17-/m1/s1
InChIKeyRYXYLOUWMHQXTQ-QGZVFWFLSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
CID 22051255
N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 164896206
1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine
CID 144917221
(1R)-N-benzyl-1-(7-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-1-phenylmethanamine
CID 99645783
(1S)-N-benzyl-1-(3,5-dimethoxyphenyl)-1-pyridin-2-ylmethanamine
CID 162374208
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 10543000
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine?
The IUPAC name of (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine (CID 86338233) is (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine.
What is the SMILES notation for (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine?
The canonical SMILES for (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine is c1ccc(CN[C@H](c2ccccc2)c2ncccn2)cc1.
What is the InChIKey of (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine?
The InChIKey is RYXYLOUWMHQXTQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17N3/c1-3-8-15(9-4-1)14-21-17(16-10-5-2-6-11-16)18-19-12-7-13-20-18/h1-13,17,21H,14H2/t17-/m1/s1.
What are the key properties of (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine?
(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine has a molecular weight of 275.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 86338233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).