2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

C10H14F3N5O — CID 106770852

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-5(2)16-8(19)4-15-7-3-6(14)17-9(18-7)10(11,12)13/h3,5H,4H2,1-2H3,(H,16,19)(H3,14,15,17,18)
InChIKeyCJTROSUJJADONC-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.01
Rot. Bonds4

About 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide (PubChem CID 106770852) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
PubChem CID106770852
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-5(2)16-8(19)4-15-7-3-6(14)17-9(18-7)10(11,12)13/h3,5H,4H2,1-2H3,(H,16,19)(H3,14,15,17,18)
InChIKeyCJTROSUJJADONC-UHFFFAOYSA-N
XLogP1.01
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide (CID 106770852) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
The InChIKey is CJTROSUJJADONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-5(2)16-8(19)4-15-7-3-6(14)17-9(18-7)10(11,12)13/h3,5H,4H2,1-2H3,(H,16,19)(H3,14,15,17,18).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propan-2-ylacetamide has a molecular weight of 277.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 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]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106770852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).