5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine

C9H10ClN3 — CID 105369623

IUPAC5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
SMILESClc1cncnc1NC1CC=CC1
InChIInChI=1S/C9H10ClN3/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,11,12,13)
InChIKeyAKBMNPOUPBPLFR-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.26
Rot. Bonds2

About 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine

5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine (PubChem CID 105369623) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
PubChem CID105369623
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
SMILESClc1cncnc1NC1CC=CC1
InChIInChI=1S/C9H10ClN3/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,11,12,13)
InChIKeyAKBMNPOUPBPLFR-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.26
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

5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369904
5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162
5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
CID 106996173
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
CID 126987815
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
5-chloro-N-[(4-chlorocyclohexyl)methyl]pyrimidin-4-amine
CID 106126003
5-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrimidin-4-amine
CID 102975885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine (CID 105369623) is 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine is Clc1cncnc1NC1CC=CC1.
What is the InChIKey of 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
The InChIKey is AKBMNPOUPBPLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-8-5-11-6-12-9(8)13-7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,11,12,13).
What are the key properties of 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine?
5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine has a molecular weight of 195.65 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine is sourced from PubChem (CID 105369623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).