2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide

C9H12F3N5O — CID 106770720

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5O/c1-14-7(18)4-17(2)6-3-5(13)15-8(16-6)9(10,11)12/h3H,4H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyIGCDSMJZFXBKSM-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.26
Rot. Bonds3

About 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide (PubChem CID 106770720) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
PubChem CID106770720
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N5O/c1-14-7(18)4-17(2)6-3-5(13)15-8(16-6)9(10,11)12/h3H,4H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyIGCDSMJZFXBKSM-UHFFFAOYSA-N
XLogP0.26
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 106771112
3-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106918446
N-methyl-2-[methyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 114564053
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771829
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106917431
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496
N-cyclopropyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]acetamide
CID 106775558
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771038
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
4-N-[(4-bromothiophen-2-yl)methyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771349

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide (CID 106770720) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide?
The InChIKey is IGCDSMJZFXBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c1-14-7(18)4-17(2)6-3-5(13)15-8(16-6)9(10,11)12/h3H,4H2,1-2H3,(H,14,18)(H2,13,15,16).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide has a molecular weight of 263.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 106770720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).