N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide

C11H12ClN3O — CID 165132565

IUPACN-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)nc(C2CC2)n1)C1CC1
InChIInChI=1S/C11H12ClN3O/c12-8-5-9(15-11(16)7-3-4-7)14-10(13-8)6-1-2-6/h5-7H,1-4H2,(H,13,14,15,16)
InChIKeyNEJPAQXBVYFCMW-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.36
Rot. Bonds3

About N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide

N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide (PubChem CID 165132565) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
PubChem CID165132565
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)nc(C2CC2)n1)C1CC1
InChIInChI=1S/C11H12ClN3O/c12-8-5-9(15-11(16)7-3-4-7)14-10(13-8)6-1-2-6/h5-7H,1-4H2,(H,13,14,15,16)
InChIKeyNEJPAQXBVYFCMW-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide (CID 165132565) is N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide is O=C(Nc1cc(Cl)nc(C2CC2)n1)C1CC1.
What is the InChIKey of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide?
The InChIKey is NEJPAQXBVYFCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-8-5-9(15-11(16)7-3-4-7)14-10(13-8)6-1-2-6/h5-7H,1-4H2,(H,13,14,15,16).
What are the key properties of N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide?
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide has a molecular weight of 237.69 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 165132565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).