2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide

C11H17ClN4O — CID 80953864

IUPAC2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C11H17ClN4O/c1-6(2)10-15-8(12)5-9(16-10)14-7(3)11(17)13-4/h5-7H,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyCMJUNDANKXEGBJ-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.80
Rot. Bonds4

About 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide

2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide (PubChem CID 80953864) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
PubChem CID80953864
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C11H17ClN4O/c1-6(2)10-15-8(12)5-9(16-10)14-7(3)11(17)13-4/h5-7H,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyCMJUNDANKXEGBJ-UHFFFAOYSA-N
XLogP1.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80953144
methyl 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80953741
6-chloro-N-(1-cyclopropylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80954067
N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 137016251
6-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 80953528
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 80954060
2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]propanoic acid
CID 122058289
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80953961
6-chloro-N-pent-1-yn-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 106232756
2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113408047

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide (CID 80953864) is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
The InChIKey is CMJUNDANKXEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-6(2)10-15-8(12)5-9(16-10)14-7(3)11(17)13-4/h5-7H,1-4H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide?
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide has a molecular weight of 256.74 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80953864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).