2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide

C9H13ClN4O — CID 63736500

IUPAC2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
SMILESCCCc1c(Cl)ncnc1NCC(N)=O
InChIInChI=1S/C9H13ClN4O/c1-2-3-6-8(10)13-5-14-9(6)12-4-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyUKBSURAKKQFULD-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.98
Rot. Bonds5

About 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide

2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide (PubChem CID 63736500) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
PubChem CID63736500
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide
SMILESCCCc1c(Cl)ncnc1NCC(N)=O
InChIInChI=1S/C9H13ClN4O/c1-2-3-6-8(10)13-5-14-9(6)12-4-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14)
InChIKeyUKBSURAKKQFULD-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloro-5-propylpyrimidin-4-yl)amino]-2,3-dimethylbutanamide
CID 112738372
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]ethanol
CID 63736464
N-(6-chloro-5-propylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 63734589
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290
6-chloro-N-(3-methylsulfanylpropyl)-5-propylpyrimidin-4-amine
CID 63959272
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
3-[(6-chloro-5-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352639
6-chloro-5-propyl-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327992
N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
N-[(4-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63736451
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide (CID 63736500) is 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide is CCCc1c(Cl)ncnc1NCC(N)=O.
What is the InChIKey of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide?
The InChIKey is UKBSURAKKQFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-2-3-6-8(10)13-5-14-9(6)12-4-7(11)15/h5H,2-4H2,1H3,(H2,11,15)(H,12,13,14).
What are the key properties of 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide?
2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide has a molecular weight of 228.68 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-propylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 63736500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).