N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide

C9H13ClN4O — CID 116795095

IUPACN-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4O/c1-2-4-11-6-8(15)13-7-3-5-12-9(10)14-7/h3,5,11H,2,4,6H2,1H3,(H,12,13,14,15)
InChIKeyXKHOMIYZZSKLSA-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.07
Rot. Bonds5

About N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide

N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide (PubChem CID 116795095) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
PubChem CID116795095
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC NameN-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C9H13ClN4O/c1-2-4-11-6-8(15)13-7-3-5-12-9(10)14-7/h3,5,11H,2,4,6H2,1H3,(H,12,13,14,15)
InChIKeyXKHOMIYZZSKLSA-UHFFFAOYSA-N
XLogP1.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.07
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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Related Compounds

2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
4-amino-N-(2-chloropyrimidin-4-yl)butanamide
CID 116795070
N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
CID 116795036
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
4-amino-N-(2-chloropyrimidin-4-yl)-1-ethylpyrrole-2-carboxamide
CID 116794605

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide (CID 116795095) is N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide?
The InChIKey is XKHOMIYZZSKLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-2-4-11-6-8(15)13-7-3-5-12-9(10)14-7/h3,5,11H,2,4,6H2,1H3,(H,12,13,14,15).
What are the key properties of N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide?
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide has a molecular weight of 228.68 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide is sourced from PubChem (CID 116795095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).