2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide

C10H14F3N5O — CID 106347518

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cc(N)nc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C10H14F3N5O/c1-4(2)7(8(15)19)17-6-3-5(14)16-9(18-6)10(11,12)13/h3-4,7H,1-2H3,(H2,15,19)(H3,14,16,17,18)
InChIKeyGKFPHBAELYCTRR-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.00
Rot. Bonds4

About 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (PubChem CID 106347518) 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]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
PubChem CID106347518
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide
SMILESCC(C)C(Nc1cc(N)nc(C(F)(F)F)n1)C(N)=O
InChIInChI=1S/C10H14F3N5O/c1-4(2)7(8(15)19)17-6-3-5(14)16-9(18-6)10(11,12)13/h3-4,7H,1-2H3,(H2,15,19)(H3,14,16,17,18)
InChIKeyGKFPHBAELYCTRR-UHFFFAOYSA-N
XLogP1.00
TPSA106.92 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 ≤ 51.00
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]-3-methylbutanamide?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide (CID 106347518) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide is CC(C)C(Nc1cc(N)nc(C(F)(F)F)n1)C(N)=O.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
The InChIKey is GKFPHBAELYCTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-4(2)7(8(15)19)17-6-3-5(14)16-9(18-6)10(11,12)13/h3-4,7H,1-2H3,(H2,15,19)(H3,14,16,17,18).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutanamide has a molecular weight of 277.25 g/mol, XLogP of 1.00, 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]-3-methylbutanamide is sourced from PubChem (CID 106347518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).