1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

C14H15F3N4O — CID 84584203

IUPAC1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C14H15F3N4O/c1-9(22)8-21(2)12-6-11(14(15,16)17)19-13(20-12)10-4-3-5-18-7-10/h3-7,9,22H,8H2,1-2H3
InChIKeyZXVADXGKYPLCCE-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.37
Rot. Bonds4

About 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 84584203) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID84584203
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCC(O)CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C14H15F3N4O/c1-9(22)8-21(2)12-6-11(14(15,16)17)19-13(20-12)10-4-3-5-18-7-10/h3-7,9,22H,8H2,1-2H3
InChIKeyZXVADXGKYPLCCE-UHFFFAOYSA-N
XLogP2.37
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (CID 84584203) is 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is CC(O)CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1.
What is the InChIKey of 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is ZXVADXGKYPLCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9(22)8-21(2)12-6-11(14(15,16)17)19-13(20-12)10-4-3-5-18-7-10/h3-7,9,22H,8H2,1-2H3.
What are the key properties of 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 312.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 84584203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).