N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide

C8H11ClN4O — CID 116795042

IUPACN-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-10-4-3-7(14)12-6-2-5-11-8(9)13-6/h2,5,10H,3-4H2,1H3,(H,11,12,13,14)
InChIKeyXUUMGTZKHFQHAC-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.68
Rot. Bonds4

About N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide

N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide (PubChem CID 116795042) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
PubChem CID116795042
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC NameN-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-10-4-3-7(14)12-6-2-5-11-8(9)13-6/h2,5,10H,3-4H2,1H3,(H,11,12,13,14)
InChIKeyXUUMGTZKHFQHAC-UHFFFAOYSA-N
XLogP0.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
4-amino-N-(2-chloropyrimidin-4-yl)butanamide
CID 116795070
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
CID 65489682
N-(2-chloropyrimidin-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 116798461
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
1-[2-[(2-chloropyrimidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 116794778

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide (CID 116795042) is N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide is CNCCC(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide?
The InChIKey is XUUMGTZKHFQHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-10-4-3-7(14)12-6-2-5-11-8(9)13-6/h2,5,10H,3-4H2,1H3,(H,11,12,13,14).
What are the key properties of N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide?
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide has a molecular weight of 214.66 g/mol, XLogP of 0.68, 4 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)-3-(methylamino)propanamide is sourced from PubChem (CID 116795042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).