[4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol

C9H14FN3O — CID 118936922

IUPAC[4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol
SMILESCC(C)(C)Nc1cc(F)nc(CO)n1
InChIInChI=1S/C9H14FN3O/c1-9(2,3)13-7-4-6(10)11-8(5-14)12-7/h4,14H,5H2,1-3H3,(H,11,12,13)
InChIKeyJOCFQUCSEWKBKG-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.32
Rot. Bonds2

About [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol

[4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol (PubChem CID 118936922) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol
PubChem CID118936922
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name[4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol
SMILESCC(C)(C)Nc1cc(F)nc(CO)n1
InChIInChI=1S/C9H14FN3O/c1-9(2,3)13-7-4-6(10)11-8(5-14)12-7/h4,14H,5H2,1-3H3,(H,11,12,13)
InChIKeyJOCFQUCSEWKBKG-UHFFFAOYSA-N
XLogP1.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol?
The IUPAC name of [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol (CID 118936922) is [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol?
The canonical SMILES for [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol is CC(C)(C)Nc1cc(F)nc(CO)n1.
What is the InChIKey of [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol?
The InChIKey is JOCFQUCSEWKBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(2,3)13-7-4-6(10)11-8(5-14)12-7/h4,14H,5H2,1-3H3,(H,11,12,13).
What are the key properties of [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol?
[4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol has a molecular weight of 199.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tert-butylamino)-6-fluoropyrimidin-2-yl]methanol is sourced from PubChem (CID 118936922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).