N-(2-chloropyrimidin-4-yl)-4-methylpentanamide

C10H14ClN3O — CID 116798365

IUPACN-(2-chloropyrimidin-4-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-7(2)3-4-9(15)13-8-5-6-12-10(11)14-8/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyFHGOQQYNTAEPCF-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.50
Rot. Bonds4

About N-(2-chloropyrimidin-4-yl)-4-methylpentanamide

N-(2-chloropyrimidin-4-yl)-4-methylpentanamide (PubChem CID 116798365) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-4-methylpentanamide
PubChem CID116798365
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-(2-chloropyrimidin-4-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-7(2)3-4-9(15)13-8-5-6-12-10(11)14-8/h5-7H,3-4H2,1-2H3,(H,12,13,14,15)
InChIKeyFHGOQQYNTAEPCF-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
4-amino-N-(2-chloropyrimidin-4-yl)butanamide
CID 116795070
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
2-amino-N-(2-chloropyrimidin-4-yl)-4-methoxybutanamide
CID 116795128
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461
(2S)-2-amino-N-(2-chloropyrimidin-4-yl)-4-methylsulfanylbutanamide
CID 104893497
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methylpentanamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-4-methylpentanamide (CID 116798365) is N-(2-chloropyrimidin-4-yl)-4-methylpentanamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-4-methylpentanamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-4-methylpentanamide?
The InChIKey is FHGOQQYNTAEPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(2)3-4-9(15)13-8-5-6-12-10(11)14-8/h5-7H,3-4H2,1-2H3,(H,12,13,14,15).
What are the key properties of N-(2-chloropyrimidin-4-yl)-4-methylpentanamide?
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide has a molecular weight of 227.69 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-4-methylpentanamide is sourced from PubChem (CID 116798365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).