4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide

C12H17ClN4O — CID 78918775

IUPAC4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCc1nc(Cl)cc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H17ClN4O/c1-8-15-10(13)7-11(16-8)14-6-2-3-12(18)17-9-4-5-9/h7,9H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYCXBPXALULLBGX-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.91
Rot. Bonds6

About 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide

4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide (PubChem CID 78918775) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
PubChem CID78918775
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCc1nc(Cl)cc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H17ClN4O/c1-8-15-10(13)7-11(16-8)14-6-2-3-12(18)17-9-4-5-9/h7,9H,2-6H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYCXBPXALULLBGX-UHFFFAOYSA-N
XLogP1.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide (CID 78918775) is 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide is Cc1nc(Cl)cc(NCCCC(=O)NC2CC2)n1.
What is the InChIKey of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is YCXBPXALULLBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-8-15-10(13)7-11(16-8)14-6-2-3-12(18)17-9-4-5-9/h7,9H,2-6H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide?
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 268.75 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 78918775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).