3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C9H13ClN4O — CID 103761458

IUPAC3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccnc(Cl)n1)C(N)=O
InChIInChI=1S/C9H13ClN4O/c1-9(2,7(11)15)5-13-6-3-4-12-8(10)14-6/h3-4H,5H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyYDXVBVLCTKKVJD-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.05
Rot. Bonds4

About 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 103761458) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID103761458
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccnc(Cl)n1)C(N)=O
InChIInChI=1S/C9H13ClN4O/c1-9(2,7(11)15)5-13-6-3-4-12-8(10)14-6/h3-4H,5H2,1-2H3,(H2,11,15)(H,12,13,14)
InChIKeyYDXVBVLCTKKVJD-UHFFFAOYSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-chloropyrimidin-4-yl)amino]acetate
CID 62342073
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2-[(2-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 62341681
3-[(6-amino-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106280453
2-[(2-chloropyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 89350640
2-[(2-chloropyrimidin-4-yl)amino]propanamide
CID 62343252
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
3-[(6-methoxy-2-pyridinyl)amino]-2,2-dimethylpropanamide
CID 106277902
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
3-[(2-chloro-5-nitropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106279542
N-(2-chloropyrimidin-4-yl)-2-(ethylamino)-2-methylpropanamide
CID 116795036
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 103761458) is 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1ccnc(Cl)n1)C(N)=O.
What is the InChIKey of 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is YDXVBVLCTKKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-9(2,7(11)15)5-13-6-3-4-12-8(10)14-6/h3-4H,5H2,1-2H3,(H2,11,15)(H,12,13,14).
What are the key properties of 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 228.68 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103761458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).