3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

C10H12ClF3N4O — CID 106917431

IUPAC3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4O/c1-15-8(19)3-4-18(2)7-5-6(11)16-9(17-7)10(12,13)14/h5H,3-4H2,1-2H3,(H,15,19)
InChIKeyJFQPRQSQBHJQIC-UHFFFAOYSA-N
MW296.68 g/mol
LogP1.72
Rot. Bonds4

About 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide

3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (PubChem CID 106917431) has the molecular formula C10H12ClF3N4O and a molecular weight of 296.68 g/mol. Its IUPAC name is 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
PubChem CID106917431
Molecular FormulaC10H12ClF3N4O
Molecular Weight296.68 g/mol
Exact Mass296.07
IUPAC Name3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12ClF3N4O/c1-15-8(19)3-4-18(2)7-5-6(11)16-9(17-7)10(12,13)14/h5H,3-4H2,1-2H3,(H,15,19)
InChIKeyJFQPRQSQBHJQIC-UHFFFAOYSA-N
XLogP1.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917420
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496
3-[(6-bromo-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917442
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
6-chloro-N-methyl-N-(2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767255
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 106767345
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 106768477

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide (CID 106917431) is 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
The InChIKey is JFQPRQSQBHJQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O/c1-15-8(19)3-4-18(2)7-5-6(11)16-9(17-7)10(12,13)14/h5H,3-4H2,1-2H3,(H,15,19).
What are the key properties of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide?
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide has a molecular weight of 296.68 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106917431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).