(4-aminopyrimidin-2-yl)methanol

C5H7N3O — CID 53421437

IUPAC(4-aminopyrimidin-2-yl)methanol
SMILESNc1ccnc(CO)n1
InChIInChI=1S/C5H7N3O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2,(H2,6,7,8)
InChIKeyXSUMVOZBKJPGII-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.45
Rot. Bonds1

About (4-aminopyrimidin-2-yl)methanol

(4-aminopyrimidin-2-yl)methanol (PubChem CID 53421437) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is (4-aminopyrimidin-2-yl)methanol.

Molecular Properties

Compound Name(4-aminopyrimidin-2-yl)methanol
PubChem CID53421437
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name(4-aminopyrimidin-2-yl)methanol
SMILESNc1ccnc(CO)n1
InChIInChI=1S/C5H7N3O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2,(H2,6,7,8)
InChIKeyXSUMVOZBKJPGII-UHFFFAOYSA-N
XLogP-0.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-aminopyrimidin-2-yl)methanol?
The IUPAC name of (4-aminopyrimidin-2-yl)methanol (CID 53421437) is (4-aminopyrimidin-2-yl)methanol.
What is the SMILES notation for (4-aminopyrimidin-2-yl)methanol?
The canonical SMILES for (4-aminopyrimidin-2-yl)methanol is Nc1ccnc(CO)n1.
What is the InChIKey of (4-aminopyrimidin-2-yl)methanol?
The InChIKey is XSUMVOZBKJPGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2,(H2,6,7,8).
What are the key properties of (4-aminopyrimidin-2-yl)methanol?
(4-aminopyrimidin-2-yl)methanol has a molecular weight of 125.13 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrimidin-2-yl)methanol is sourced from PubChem (CID 53421437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).