6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine

C13H16ClN3 — CID 106196088

IUPAC6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CC=CC1
InChIInChI=1S/C13H16ClN3/c1-8-11(14)16-13(9-6-7-9)17-12(8)15-10-4-2-3-5-10/h2-3,9-10H,4-7H2,1H3,(H,15,16,17)
InChIKeyJQPWXDIWOQDJCV-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.45
Rot. Bonds3

About 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine

6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 106196088) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID106196088
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CC=CC1
InChIInChI=1S/C13H16ClN3/c1-8-11(14)16-13(9-6-7-9)17-12(8)15-10-4-2-3-5-10/h2-3,9-10H,4-7H2,1H3,(H,15,16,17)
InChIKeyJQPWXDIWOQDJCV-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
6-chloro-2-cyclopropyl-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
CID 114549347
6-chloro-2-cyclopropyl-5-methyl-N-(2-methyloxan-4-yl)pyrimidin-4-amine
CID 114109081
6-chloro-2-cyclopropyl-N-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrimidin-4-amine
CID 80972393
4-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192202
6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10214558
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine
CID 114156780
6-chloro-2-cyclopropyl-N-(2,3-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80970384
6-chloro-2-cyclopropyl-N-(4-ethylphenyl)-5-methylpyrimidin-4-amine
CID 80970768
N-(3-bromo-5-methylphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 107576919

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 106196088) is 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC1CC=CC1.
What is the InChIKey of 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is JQPWXDIWOQDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8-11(14)16-13(9-6-7-9)17-12(8)15-10-4-2-3-5-10/h2-3,9-10H,4-7H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 249.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopent-3-en-1-yl-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 106196088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).