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

C7H9ClN4O — CID 62341681

IUPAC2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1ccnc(Cl)n1
InChIInChI=1S/C7H9ClN4O/c1-9-6(13)4-11-5-2-3-10-7(8)12-5/h2-3H,4H2,1H3,(H,9,13)(H,10,11,12)
InChIKeyDURIZTSUVYPCPB-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.29
Rot. Bonds3

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

2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 62341681) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID62341681
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1ccnc(Cl)n1
InChIInChI=1S/C7H9ClN4O/c1-9-6(13)4-11-5-2-3-10-7(8)12-5/h2-3H,4H2,1H3,(H,9,13)(H,10,11,12)
InChIKeyDURIZTSUVYPCPB-UHFFFAOYSA-N
XLogP0.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloropyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 62344056
ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
N-(2-chloropyrimidin-4-yl)-3-(methylamino)propanamide
CID 116795042
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 103761458
N-(2-chloropyrimidin-4-yl)-2-(propylamino)acetamide
CID 116795095
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
N-(2-chloropyrimidin-4-yl)-4-methylpentanamide
CID 116798365
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
3-[(2-chloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 115695349

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide (CID 62341681) is 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide is CNC(=O)CNc1ccnc(Cl)n1.
What is the InChIKey of 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is DURIZTSUVYPCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-9-6(13)4-11-5-2-3-10-7(8)12-5/h2-3H,4H2,1H3,(H,9,13)(H,10,11,12).
What are the key properties of 2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide?
2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 200.63 g/mol, XLogP of 0.29, 3 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-methylacetamide is sourced from PubChem (CID 62341681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).