2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine

C12H17N5 — CID 95241207

IUPAC2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine
SMILES[N-]=[N+]=N[C@H](CC1CCCCC1)c1ncccn1
InChIInChI=1S/C12H17N5/c13-17-16-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h4,7-8,10-11H,1-3,5-6,9H2/t11-/m1/s1
InChIKeyRTNHBFKYPWZHPH-LLVKDONJSA-N
MW231.30 g/mol
LogP3.80
Rot. Bonds4

About 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine

2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine (PubChem CID 95241207) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine.

Molecular Properties

Compound Name2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine
PubChem CID95241207
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine
SMILES[N-]=[N+]=N[C@H](CC1CCCCC1)c1ncccn1
InChIInChI=1S/C12H17N5/c13-17-16-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h4,7-8,10-11H,1-3,5-6,9H2/t11-/m1/s1
InChIKeyRTNHBFKYPWZHPH-LLVKDONJSA-N
XLogP3.80
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-1-pyrimidin-2-ylethanol
CID 62608023
cyclohexyl(pyrimidin-2-yl)methanol
CID 60798580
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
CID 82932188
(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
CID 11009289
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62604509
methyl (2S,3S)-3-azido-4-cyclohexyl-2-trimethylsilyloxybutanoate
CID 11099031
1-cyclohexyl-N-(pyrimidin-2-ylmethyl)methanamine
CID 62698021
1-cyclohexyl-3-pyridin-2-ylbutan-2-amine
CID 66448950
2,2-di(cyclobutyl)-1-pyrimidin-2-ylethanamine
CID 165485023
1-azidoprop-2-enylcyclohexane
CID 102226728
(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 12052820

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine?
The IUPAC name of 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine (CID 95241207) is 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine.
What is the SMILES notation for 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine?
The canonical SMILES for 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine is [N-]=[N+]=N[C@H](CC1CCCCC1)c1ncccn1.
What is the InChIKey of 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine?
The InChIKey is RTNHBFKYPWZHPH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N5/c13-17-16-11(12-14-7-4-8-15-12)9-10-5-2-1-3-6-10/h4,7-8,10-11H,1-3,5-6,9H2/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine?
2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-azido-2-cyclohexylethyl]pyrimidine is sourced from PubChem (CID 95241207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).