5-(2-chlorocyclopropyl)pyrimidine

C7H7ClN2 — CID 174618230

IUPAC5-(2-chlorocyclopropyl)pyrimidine
SMILESClC1CC1c1cncnc1
InChIInChI=1S/C7H7ClN2/c8-7-1-6(7)5-2-9-4-10-3-5/h2-4,6-7H,1H2
InChIKeyXENMJZWKPYISLH-UHFFFAOYSA-N
MW154.60 g/mol
LogP1.57
Rot. Bonds1

About 5-(2-chlorocyclopropyl)pyrimidine

5-(2-chlorocyclopropyl)pyrimidine (PubChem CID 174618230) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 5-(2-chlorocyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-(2-chlorocyclopropyl)pyrimidine
PubChem CID174618230
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name5-(2-chlorocyclopropyl)pyrimidine
SMILESClC1CC1c1cncnc1
InChIInChI=1S/C7H7ClN2/c8-7-1-6(7)5-2-9-4-10-3-5/h2-4,6-7H,1H2
InChIKeyXENMJZWKPYISLH-UHFFFAOYSA-N
XLogP1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-cyclopropylcyclopropyl)pyrimidine
CID 173069737
[(1R)-2-pyrimidin-5-ylcyclopropyl]methanol
CID 146166086
4-(2-chlorocyclopropyl)pyridazine
CID 174833240
1-[(1R,2R)-2-pyrimidin-5-ylcyclopropyl]ethanone
CID 154624191
5-(5-bromo-2-methylcyclohexyl)pyrimidine
CID 165497477
3-pyrimidin-5-yl-1-azabicyclo[2.2.2]octane
CID 15750249
(2-pyrimidin-5-ylcycloheptyl)methanamine
CID 81010295
1-pyrimidin-5-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine;hydrochloride
CID 18934731
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide
CID 71693775
4-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 130922382
5-methyl-6-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557383
5-pyrrolidin-3-ylpyrimidine
CID 66996535

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorocyclopropyl)pyrimidine?
The IUPAC name of 5-(2-chlorocyclopropyl)pyrimidine (CID 174618230) is 5-(2-chlorocyclopropyl)pyrimidine.
What is the SMILES notation for 5-(2-chlorocyclopropyl)pyrimidine?
The canonical SMILES for 5-(2-chlorocyclopropyl)pyrimidine is ClC1CC1c1cncnc1.
What is the InChIKey of 5-(2-chlorocyclopropyl)pyrimidine?
The InChIKey is XENMJZWKPYISLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-7-1-6(7)5-2-9-4-10-3-5/h2-4,6-7H,1H2.
What are the key properties of 5-(2-chlorocyclopropyl)pyrimidine?
5-(2-chlorocyclopropyl)pyrimidine has a molecular weight of 154.60 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorocyclopropyl)pyrimidine is sourced from PubChem (CID 174618230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).