5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine

C9H12ClN3 — CID 105369616

IUPAC5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
SMILESCC1CC(Nc2ncncc2Cl)C1
InChIInChI=1S/C9H12ClN3/c1-6-2-7(3-6)13-9-8(10)4-11-5-12-9/h4-7H,2-3H2,1H3,(H,11,12,13)
InChIKeyFOPZUTVLUIYBJB-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.34
Rot. Bonds2

About 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine

5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine (PubChem CID 105369616) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
PubChem CID105369616
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
SMILESCC1CC(Nc2ncncc2Cl)C1
InChIInChI=1S/C9H12ClN3/c1-6-2-7(3-6)13-9-8(10)4-11-5-12-9/h4-7H,2-3H2,1H3,(H,11,12,13)
InChIKeyFOPZUTVLUIYBJB-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162
5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 105369623
5-chloro-N-(2-methylpiperidin-4-yl)pyrimidin-4-amine
CID 106996173
5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 66339947
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369904
3-chloro-N-(3-methylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113248032
N-(3,5-dimethylcyclohexyl)pyrimidin-5-amine
CID 107587637
5-chloro-4-N-(3,5-dimethylcyclohexyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80841105
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
6-chloro-N-(3,5-dimethylcyclohexyl)-5-ethylpyrimidin-4-amine
CID 64732155
2-chloro-5-methyl-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 90877547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine (CID 105369616) is 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine is CC1CC(Nc2ncncc2Cl)C1.
What is the InChIKey of 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine?
The InChIKey is FOPZUTVLUIYBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-6-2-7(3-6)13-9-8(10)4-11-5-12-9/h4-7H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine?
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine has a molecular weight of 197.67 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine is sourced from PubChem (CID 105369616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).