5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine

C11H16ClN3 — CID 79556553

IUPAC5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
SMILESCCC(CC1CC1)Nc1ncc(Cl)cn1
InChIInChI=1S/C11H16ClN3/c1-2-10(5-8-3-4-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3,(H,13,14,15)
InChIKeyJKQAGKHFQWGWFT-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.12
Rot. Bonds5

About 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine

5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine (PubChem CID 79556553) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
PubChem CID79556553
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
SMILESCCC(CC1CC1)Nc1ncc(Cl)cn1
InChIInChI=1S/C11H16ClN3/c1-2-10(5-8-3-4-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3,(H,13,14,15)
InChIKeyJKQAGKHFQWGWFT-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 2-(1,4-dimethylpentyl)amino-
CID 23423533
Pyrimidine, 5-bromo-2-(1,4-dimethylpentyl)amino-
CID 23423535
(2R)-1-N-(5-chloropyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 124253806
5-chloro-N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129617851
2-N-(dicyclopropylmethyl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 132412414
(3S,4R)-1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine
CID 71093748
1-(5-chloropyrimidin-2-yl)-N-cyclopropyl-3-fluoropiperidin-4-amine
CID 78006900
5-fluoro-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 103826119
N-(4-ethylcyclohexyl)-5-fluoropyrimidin-2-amine
CID 115749964
4-N-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylheptane-2,4-diamine
CID 123182634
N-[(1S)-1-cyclopropylethyl]-5-fluoropyrimidin-2-amine
CID 126790267
5-chloro-N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
CID 130298542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine (CID 79556553) is 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine is CCC(CC1CC1)Nc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is JKQAGKHFQWGWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-2-10(5-8-3-4-8)15-11-13-6-9(12)7-14-11/h6-8,10H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine?
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 79556553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).