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

C7H11N3O2 — CID 56637796

IUPAC4-amino-1-(3-hydroxypropyl)pyrimidin-2-one
SMILESNc1ccn(CCCO)c(=O)n1
InChIInChI=1S/C7H11N3O2/c8-6-2-4-10(3-1-5-11)7(12)9-6/h2,4,11H,1,3,5H2,(H2,8,9,12)
InChIKeySYKDOHYGZVIGQJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.79
Rot. Bonds3

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

4-amino-1-(3-hydroxypropyl)pyrimidin-2-one (PubChem CID 56637796) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxypropyl)pyrimidin-2-one
PubChem CID56637796
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-1-(3-hydroxypropyl)pyrimidin-2-one
SMILESNc1ccn(CCCO)c(=O)n1
InChIInChI=1S/C7H11N3O2/c8-6-2-4-10(3-1-5-11)7(12)9-6/h2,4,11H,1,3,5H2,(H2,8,9,12)
InChIKeySYKDOHYGZVIGQJ-UHFFFAOYSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one (CID 56637796) is 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one is Nc1ccn(CCCO)c(=O)n1.
What is the InChIKey of 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one?
The InChIKey is SYKDOHYGZVIGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-6-2-4-10(3-1-5-11)7(12)9-6/h2,4,11H,1,3,5H2,(H2,8,9,12).
What are the key properties of 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one?
4-amino-1-(3-hydroxypropyl)pyrimidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxypropyl)pyrimidin-2-one is sourced from PubChem (CID 56637796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).