(2-amino-6-propan-2-ylpyrimidin-4-yl)methanol

C8H13N3O — CID 68669560

IUPAC(2-amino-6-propan-2-ylpyrimidin-4-yl)methanol
SMILESCC(C)c1cc(CO)nc(N)n1
InChIInChI=1S/C8H13N3O/c1-5(2)7-3-6(4-12)10-8(9)11-7/h3,5,12H,4H2,1-2H3,(H2,9,10,11)
InChIKeyAQGSVYPWNPBBMX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.67
Rot. Bonds2

About (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol

(2-amino-6-propan-2-ylpyrimidin-4-yl)methanol (PubChem CID 68669560) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-6-propan-2-ylpyrimidin-4-yl)methanol
PubChem CID68669560
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(2-amino-6-propan-2-ylpyrimidin-4-yl)methanol
SMILESCC(C)c1cc(CO)nc(N)n1
InChIInChI=1S/C8H13N3O/c1-5(2)7-3-6(4-12)10-8(9)11-7/h3,5,12H,4H2,1-2H3,(H2,9,10,11)
InChIKeyAQGSVYPWNPBBMX-UHFFFAOYSA-N
XLogP0.67
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol?
The IUPAC name of (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol (CID 68669560) is (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol is CC(C)c1cc(CO)nc(N)n1.
What is the InChIKey of (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol?
The InChIKey is AQGSVYPWNPBBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)7-3-6(4-12)10-8(9)11-7/h3,5,12H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol?
(2-amino-6-propan-2-ylpyrimidin-4-yl)methanol has a molecular weight of 167.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-propan-2-ylpyrimidin-4-yl)methanol is sourced from PubChem (CID 68669560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).