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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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).