4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C15H19F3N6O — CID 128977671

IUPAC4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCO[C@@H]2c2nccn2C)n1
InChIInChI=1S/C15H19F3N6O/c1-23(2)11-8-10(15(16,17)18)21-14(22-11)20-9-4-7-25-12(9)13-19-5-6-24(13)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,20,21,22)/t9-,12-/m0/s1
InChIKeyMRHDXEAVWVUXFB-CABZTGNLSA-N
MW356.35 g/mol
LogP2.24
Rot. Bonds4

About 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 128977671) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID128977671
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCO[C@@H]2c2nccn2C)n1
InChIInChI=1S/C15H19F3N6O/c1-23(2)11-8-10(15(16,17)18)21-14(22-11)20-9-4-7-25-12(9)13-19-5-6-24(13)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,20,21,22)/t9-,12-/m0/s1
InChIKeyMRHDXEAVWVUXFB-CABZTGNLSA-N
XLogP2.24
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 128977671) is 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(C)c1cc(C(F)(F)F)nc(N[C@H]2CCO[C@@H]2c2nccn2C)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is MRHDXEAVWVUXFB-CABZTGNLSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-23(2)11-8-10(15(16,17)18)21-14(22-11)20-9-4-7-25-12(9)13-19-5-6-24(13)3/h5-6,8-9,12H,4,7H2,1-3H3,(H,20,21,22)/t9-,12-/m0/s1.
What are the key properties of 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 356.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 128977671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).