2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol

C8H15N3O3 — CID 163296268

IUPAC2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol
SMILESCO.Nc1nc(=O)ccn1CCCO
InChIInChI=1S/C7H11N3O2.CH4O/c8-7-9-6(12)2-4-10(7)3-1-5-11;1-2/h2,4,11H,1,3,5H2,(H2,8,9,12);2H,1H3
InChIKeyDLIKEMMSJVFVNL-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.18
Rot. Bonds3

About 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol

2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol (PubChem CID 163296268) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol.

Molecular Properties

Compound Name2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol
PubChem CID163296268
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol
SMILESCO.Nc1nc(=O)ccn1CCCO
InChIInChI=1S/C7H11N3O2.CH4O/c8-7-9-6(12)2-4-10(7)3-1-5-11;1-2/h2,4,11H,1,3,5H2,(H2,8,9,12);2H,1H3
InChIKeyDLIKEMMSJVFVNL-UHFFFAOYSA-N
XLogP-1.18
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol?
The IUPAC name of 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol (CID 163296268) is 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol.
What is the SMILES notation for 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol?
The canonical SMILES for 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol is CO.Nc1nc(=O)ccn1CCCO.
What is the InChIKey of 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol?
The InChIKey is DLIKEMMSJVFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.CH4O/c8-7-9-6(12)2-4-10(7)3-1-5-11;1-2/h2,4,11H,1,3,5H2,(H2,8,9,12);2H,1H3.
What are the key properties of 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol?
2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol has a molecular weight of 201.23 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxypropyl)pyrimidin-4-one;methanol is sourced from PubChem (CID 163296268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).