3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

C8H10F3N3O — CID 10704193

IUPAC3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESNc1ncc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-5(2-1-3-15)4-13-7(12)14-6/h4,15H,1-3H2,(H2,12,13,14)
InChIKeyVNWBPAWPQSSCCU-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.00
Rot. Bonds3

About 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol

3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (PubChem CID 10704193) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
PubChem CID10704193
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol
SMILESNc1ncc(CCCO)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-5(2-1-3-15)4-13-7(12)14-6/h4,15H,1-3H2,(H2,12,13,14)
InChIKeyVNWBPAWPQSSCCU-UHFFFAOYSA-N
XLogP1.00
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2,4-triol
CID 171873020
3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 169485542
[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]boronic acid
CID 71463633
3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 2763521
CID 162575863
CID 162575863
5-(4-bromobut-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 170498124
4-amino-1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171881977
[6-amino-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704007
3-[2,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 155925897
5-hexylpyrimidine-2,4-diamine
CID 23086565
[2-pyridin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 114205003
5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 167867015

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The IUPAC name of 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol (CID 10704193) is 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol.
What is the SMILES notation for 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The canonical SMILES for 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is Nc1ncc(CCCO)c(C(F)(F)F)n1.
What is the InChIKey of 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
The InChIKey is VNWBPAWPQSSCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6-5(2-1-3-15)4-13-7(12)14-6/h4,15H,1-3H2,(H2,12,13,14).
What are the key properties of 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol?
3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol has a molecular weight of 221.18 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]propan-1-ol is sourced from PubChem (CID 10704193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).