4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine

C14H16F3N5O — CID 128977020

IUPAC4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(N[C@H]2CCO[C@@H]2c2ccnn2C)n1
InChIInChI=1S/C14H16F3N5O/c1-8-7-11(14(15,16)17)21-13(19-8)20-9-4-6-23-12(9)10-3-5-18-22(10)2/h3,5,7,9,12H,4,6H2,1-2H3,(H,19,20,21)/t9-,12-/m0/s1
InChIKeyGZQMUUWDSYBVRM-CABZTGNLSA-N
MW327.31 g/mol
LogP2.48
Rot. Bonds3

About 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine

4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 128977020) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID128977020
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(N[C@H]2CCO[C@@H]2c2ccnn2C)n1
InChIInChI=1S/C14H16F3N5O/c1-8-7-11(14(15,16)17)21-13(19-8)20-9-4-6-23-12(9)10-3-5-18-22(10)2/h3,5,7,9,12H,4,6H2,1-2H3,(H,19,20,21)/t9-,12-/m0/s1
InChIKeyGZQMUUWDSYBVRM-CABZTGNLSA-N
XLogP2.48
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 128977020) is 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(N[C@H]2CCO[C@@H]2c2ccnn2C)n1.
What is the InChIKey of 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GZQMUUWDSYBVRM-CABZTGNLSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-7-11(14(15,16)17)21-13(19-8)20-9-4-6-23-12(9)10-3-5-18-22(10)2/h3,5,7,9,12H,4,6H2,1-2H3,(H,19,20,21)/t9-,12-/m0/s1.
What are the key properties of 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine?
4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 327.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 128977020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).