(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine

C11H14N2 — CID 134952379

IUPAC(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCC[C@H](c2ccccc2)N1
InChIInChI=1S/C11H14N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,12,13)/t11-/m1/s1
InChIKeyXAFFTEZGPCOJLL-LLVKDONJSA-N
MW174.25 g/mol
LogP2.14
Rot. Bonds1

About (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine

(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 134952379) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine
PubChem CID134952379
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCC[C@H](c2ccccc2)N1
InChIInChI=1S/C11H14N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,12,13)/t11-/m1/s1
InChIKeyXAFFTEZGPCOJLL-LLVKDONJSA-N
XLogP2.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 101114161
N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide
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N,N-dimethyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
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(2S)-2-phenylpiperidine
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propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
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acetic acid;2,5-diphenylpiperazine
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Frequently Asked Questions

What is the IUPAC name of (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine (CID 134952379) is (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine is CC1=NCC[C@H](c2ccccc2)N1.
What is the InChIKey of (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XAFFTEZGPCOJLL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-12-8-7-11(13-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,12,13)/t11-/m1/s1.
What are the key properties of (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine?
(6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-6-phenyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 134952379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).