2-(6-chloropyrimidin-4-yl)propanediamide

C7H7ClN4O2 — CID 100761666

IUPAC2-(6-chloropyrimidin-4-yl)propanediamide
SMILESNC(=O)C(C(N)=O)c1cc(Cl)ncn1
InChIInChI=1S/C7H7ClN4O2/c8-4-1-3(11-2-12-4)5(6(9)13)7(10)14/h1-2,5H,(H2,9,13)(H2,10,14)
InChIKeyJARXOJXOEVLHCD-UHFFFAOYSA-N
MW214.61 g/mol
LogP-0.82
Rot. Bonds3

About 2-(6-chloropyrimidin-4-yl)propanediamide

2-(6-chloropyrimidin-4-yl)propanediamide (PubChem CID 100761666) has the molecular formula C7H7ClN4O2 and a molecular weight of 214.61 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)propanediamide.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)propanediamide
PubChem CID100761666
Molecular FormulaC7H7ClN4O2
Molecular Weight214.61 g/mol
Exact Mass214.03
IUPAC Name2-(6-chloropyrimidin-4-yl)propanediamide
SMILESNC(=O)C(C(N)=O)c1cc(Cl)ncn1
InChIInChI=1S/C7H7ClN4O2/c8-4-1-3(11-2-12-4)5(6(9)13)7(10)14/h1-2,5H,(H2,9,13)(H2,10,14)
InChIKeyJARXOJXOEVLHCD-UHFFFAOYSA-N
XLogP-0.82
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Chloropyrimidine-4-carboxyamide
CID 83814922
2-(6-Chloro-pyrimidin-4-yl)-2-cyano-N,N-dimethyl-acetamide
CID 86623946
2-(2,6-Dichloropyrimidin-4-yl)acetamide
CID 91375019
2-(6-Chloropyrimidin-4-yl)acetaldehyde
CID 124036428
1-(6-Chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 140760757
1-(6-Chloropyrimidin-4-yl)cyclohexane-1-carboxamide
CID 140760758
2-Pyrimidin-4-ylpropanamide
CID 141053247
2-(6-Chloropyrimidin-4-yl)acetamide
CID 153920199
4-chloro-6-propan-2-ylpyrimidin-2-amine;2-imino-6-propan-2-yl-5H-pyrimidin-4-one
CID 157311097
4-chloro-6-(2-fluoropropan-2-yl)pyrimidine;6-(2-fluoropropan-2-yl)-5H-pyrimidin-4-one
CID 157865326
2-(2,6-Dichloropyrimidin-4-yl)acetohydrazide
CID 170331826
trans-(1S,2S)-2-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 170693969

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)propanediamide?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)propanediamide (CID 100761666) is 2-(6-chloropyrimidin-4-yl)propanediamide.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)propanediamide?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)propanediamide is NC(=O)C(C(N)=O)c1cc(Cl)ncn1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)propanediamide?
The InChIKey is JARXOJXOEVLHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2/c8-4-1-3(11-2-12-4)5(6(9)13)7(10)14/h1-2,5H,(H2,9,13)(H2,10,14).
What are the key properties of 2-(6-chloropyrimidin-4-yl)propanediamide?
2-(6-chloropyrimidin-4-yl)propanediamide has a molecular weight of 214.61 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)propanediamide is sourced from PubChem (CID 100761666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).