2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide

C9H11ClN4O — CID 79556332

IUPAC2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ncc(Cl)cn1)NC1CC1
InChIInChI=1S/C9H11ClN4O/c10-6-3-11-9(12-4-6)13-5-8(15)14-7-1-2-7/h3-4,7H,1-2,5H2,(H,14,15)(H,11,12,13)
InChIKeyQJRYFUUUVOEDLI-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.82
Rot. Bonds4

About 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide

2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide (PubChem CID 79556332) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
PubChem CID79556332
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
SMILESO=C(CNc1ncc(Cl)cn1)NC1CC1
InChIInChI=1S/C9H11ClN4O/c10-6-3-11-9(12-4-6)13-5-8(15)14-7-1-2-7/h3-4,7H,1-2,5H2,(H,14,15)(H,11,12,13)
InChIKeyQJRYFUUUVOEDLI-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

2-[(5-chloro-1,3-thiazol-2-yl)amino]-N-cyclopropylacetamide
CID 130657605
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
CID 80792553
2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
N-cyclopropyl-2-[(1-methylimidazol-2-yl)amino]acetamide
CID 62133099
N-cyclopropyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750403
N-cyclopropyl-2-[(5-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 131107656
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-cyclopropylacetamide
CID 43568485
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312
2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide
CID 66276026
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide (CID 79556332) is 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide is O=C(CNc1ncc(Cl)cn1)NC1CC1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide?
The InChIKey is QJRYFUUUVOEDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c10-6-3-11-9(12-4-6)13-5-8(15)14-7-1-2-7/h3-4,7H,1-2,5H2,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide?
2-[(5-chloropyrimidin-2-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-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 79556332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).