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

C12H19ClN4O — CID 80953144

IUPAC2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1cc(Cl)nc(C(C)C)n1)C(=O)N(C)C
InChIInChI=1S/C12H19ClN4O/c1-7(2)11-15-9(13)6-10(16-11)14-8(3)12(18)17(4)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyOLYSYMDCXSCAHD-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.14
Rot. Bonds4

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

2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80953144) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID80953144
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1cc(Cl)nc(C(C)C)n1)C(=O)N(C)C
InChIInChI=1S/C12H19ClN4O/c1-7(2)11-15-9(13)6-10(16-11)14-8(3)12(18)17(4)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyOLYSYMDCXSCAHD-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80953864
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 80954060
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
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80897678
2-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]propanoic acid
CID 122058289
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80960849
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80953990
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-N-ethyl-N-methylpropanamide
CID 103112929
2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 106775480
6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80953961
N-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953327

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 80953144) is 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CC(Nc1cc(Cl)nc(C(C)C)n1)C(=O)N(C)C.
What is the InChIKey of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is OLYSYMDCXSCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7(2)11-15-9(13)6-10(16-11)14-8(3)12(18)17(4)5/h6-8H,1-5H3,(H,14,15,16).
What are the key properties of 2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
2-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 80953144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).