2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide

C13H19ClN4O — CID 133420673

IUPAC2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1cc(Cl)nc(C2CC2)n1)C(N)=O
InChIInChI=1S/C13H19ClN4O/c1-3-7(2)11(12(15)19)17-10-6-9(14)16-13(18-10)8-4-5-8/h6-8,11H,3-5H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyHYQNSPVLGPUHID-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.32
Rot. Bonds6

About 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide (PubChem CID 133420673) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
PubChem CID133420673
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide
SMILESCCC(C)C(Nc1cc(Cl)nc(C2CC2)n1)C(N)=O
InChIInChI=1S/C13H19ClN4O/c1-3-7(2)11(12(15)19)17-10-6-9(14)16-13(18-10)8-4-5-8/h6-8,11H,3-5H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyHYQNSPVLGPUHID-UHFFFAOYSA-N
XLogP2.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide?
The IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide (CID 133420673) is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide?
The canonical SMILES for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide is CCC(C)C(Nc1cc(Cl)nc(C2CC2)n1)C(N)=O.
What is the InChIKey of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide?
The InChIKey is HYQNSPVLGPUHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-3-7(2)11(12(15)19)17-10-6-9(14)16-13(18-10)8-4-5-8/h6-8,11H,3-5H2,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide?
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide has a molecular weight of 282.77 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-3-methylpentanamide is sourced from PubChem (CID 133420673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).