(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane

C15H15N3 — CID 123465502

IUPAC(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1ccc([C@@]23C[C@@H]2CN(c2ncccn2)C3)cc1
InChIInChI=1S/C15H15N3/c1-2-5-12(6-3-1)15-9-13(15)10-18(11-15)14-16-7-4-8-17-14/h1-8,13H,9-11H2/t13-,15+/m1/s1
InChIKeyVLHCSCODGBLPNQ-HIFRSBDPSA-N
MW237.31 g/mol
LogP2.25
Rot. Bonds2

About (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane

(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 123465502) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID123465502
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane
SMILESc1ccc([C@@]23C[C@@H]2CN(c2ncccn2)C3)cc1
InChIInChI=1S/C15H15N3/c1-2-5-12(6-3-1)15-9-13(15)10-18(11-15)14-16-7-4-8-17-14/h1-8,13H,9-11H2/t13-,15+/m1/s1
InChIKeyVLHCSCODGBLPNQ-HIFRSBDPSA-N
XLogP2.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,7aR)-2-(furan-2-ylmethyl)-7a-phenyl-5-pyrimidin-2-yl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine
CID 97404201
[3-(4-phenoxypyrimidin-2-yl)-3-azabicyclo[3.1.0]hexan-1-yl]methanol
CID 167794160
2-[(1R,5S)-1-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboximidate
CID 143892098
2-[3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]pyrimidine
CID 71174197
2-pyrimidin-2-yl-2-azaspiro[4.5]decane-4-carboxylic acid
CID 122160567
2-[4-(3-methyl-1,3-diphenylcyclobutyl)piperazin-1-yl]pyrimidine
CID 154720556
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 23607529
(3aS,6aS)-3a-(pyridin-3-yloxymethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124911985
2,2-dimethyl-1-[2-[3-[(1S,5R)-1-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 59540714
2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
4-phenyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 22240919
2-[1-[(2,2-diphenylcyclopropyl)methyl]azetidin-3-yl]pyridine
CID 56905810

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane (CID 123465502) is (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane is c1ccc([C@@]23C[C@@H]2CN(c2ncccn2)C3)cc1.
What is the InChIKey of (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is VLHCSCODGBLPNQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H15N3/c1-2-5-12(6-3-1)15-9-13(15)10-18(11-15)14-16-7-4-8-17-14/h1-8,13H,9-11H2/t13-,15+/m1/s1.
What are the key properties of (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane?
(1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 237.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-phenyl-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 123465502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).