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

C10H12ClN3 — CID 105369492

IUPAC5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
SMILESClc1cncnc1NC1CC=CCC1
InChIInChI=1S/C10H12ClN3/c11-9-6-12-7-13-10(9)14-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,12,13,14)
InChIKeyORLJDJUUDVZJQS-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.65
Rot. Bonds2

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

5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine (PubChem CID 105369492) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
PubChem CID105369492
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
SMILESClc1cncnc1NC1CC=CCC1
InChIInChI=1S/C10H12ClN3/c11-9-6-12-7-13-10(9)14-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,12,13,14)
InChIKeyORLJDJUUDVZJQS-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.65
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-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 105369623
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
3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
CID 114835973
N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133322747
5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
CID 106996173
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367
5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
CID 126987815
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
CID 104843859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine (CID 105369492) is 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine is Clc1cncnc1NC1CC=CCC1.
What is the InChIKey of 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
The InChIKey is ORLJDJUUDVZJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-9-6-12-7-13-10(9)14-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,12,13,14).
What are the key properties of 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine?
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine has a molecular weight of 209.68 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine is sourced from PubChem (CID 105369492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).