2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide

C9H14ClN5O — CID 63023413

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc(Cl)c1N
InChIInChI=1S/C9H14ClN5O/c1-2-3-12-6(16)4-13-9-7(11)8(10)14-5-15-9/h5H,2-4,11H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyUMDBPJDFZWIVSX-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.65
Rot. Bonds5

About 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide

2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide (PubChem CID 63023413) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
PubChem CID63023413
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncnc(Cl)c1N
InChIInChI=1S/C9H14ClN5O/c1-2-3-12-6(16)4-13-9-7(11)8(10)14-5-15-9/h5H,2-4,11H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyUMDBPJDFZWIVSX-UHFFFAOYSA-N
XLogP0.65
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
2-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 55142736
2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-propylacetamide
CID 133407832
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 138013300
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-N-propylacetamide
CID 63271891
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]-N-propylacetamide
CID 112726544

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide (CID 63023413) is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1ncnc(Cl)c1N.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide?
The InChIKey is UMDBPJDFZWIVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-2-3-12-6(16)4-13-9-7(11)8(10)14-5-15-9/h5H,2-4,11H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide?
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide has a molecular weight of 243.70 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 63023413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).