[4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol

C7H5F6N3O — CID 14387088

IUPAC[4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESNc1nc(C(F)(F)F)nc(C(F)(F)F)c1CO
InChIInChI=1S/C7H5F6N3O/c8-6(9,10)3-2(1-17)4(14)16-5(15-3)7(11,12)13/h17H,1H2,(H2,14,15,16)
InChIKeyBYPZJJOGTFNHCH-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.59
Rot. Bonds1

About [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol

[4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol (PubChem CID 14387088) has the molecular formula C7H5F6N3O and a molecular weight of 261.12 g/mol. Its IUPAC name is [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol
PubChem CID14387088
Molecular FormulaC7H5F6N3O
Molecular Weight261.12 g/mol
Exact Mass261.03
IUPAC Name[4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol
SMILESNc1nc(C(F)(F)F)nc(C(F)(F)F)c1CO
InChIInChI=1S/C7H5F6N3O/c8-6(9,10)3-2(1-17)4(14)16-5(15-3)7(11,12)13/h17H,1H2,(H2,14,15,16)
InChIKeyBYPZJJOGTFNHCH-UHFFFAOYSA-N
XLogP1.59
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol (CID 14387088) is [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol is Nc1nc(C(F)(F)F)nc(C(F)(F)F)c1CO.
What is the InChIKey of [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol?
The InChIKey is BYPZJJOGTFNHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6N3O/c8-6(9,10)3-2(1-17)4(14)16-5(15-3)7(11,12)13/h17H,1H2,(H2,14,15,16).
What are the key properties of [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol?
[4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol has a molecular weight of 261.12 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2,6-bis(trifluoromethyl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 14387088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).