2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide

C9H11ClN4O — CID 62344056

IUPAC2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccnc(Cl)n1)NC1CC1
InChIInChI=1S/C9H11ClN4O/c10-9-11-4-3-7(14-9)12-5-8(15)13-6-1-2-6/h3-4,6H,1-2,5H2,(H,13,15)(H,11,12,14)
InChIKeyWXJUCGRGUIZPQG-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.82
Rot. Bonds4

About 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide

2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 62344056) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID62344056
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccnc(Cl)n1)NC1CC1
InChIInChI=1S/C9H11ClN4O/c10-9-11-4-3-7(14-9)12-5-8(15)13-6-1-2-6/h3-4,6H,1-2,5H2,(H,13,15)(H,11,12,14)
InChIKeyWXJUCGRGUIZPQG-UHFFFAOYSA-N
XLogP0.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80793366
methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrimidine-2-carboxylate
CID 66287042
3-[(2-aminopyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80849638
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
CID 79556332
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560
N-(2-chloropyrimidin-4-yl)-2-cyclohexylacetamide
CID 116798496
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568213
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide (CID 62344056) is 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide is O=C(CNc1ccnc(Cl)n1)NC1CC1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is WXJUCGRGUIZPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-9-11-4-3-7(14-9)12-5-8(15)13-6-1-2-6/h3-4,6H,1-2,5H2,(H,13,15)(H,11,12,14).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide?
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide has a molecular weight of 226.67 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 62344056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).