2-(3-hydroxypropylamino)-1H-pyrimidin-6-one

C7H11N3O2 — CID 2069398

IUPAC2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NCCCO)[nH]1
InChIInChI=1S/C7H11N3O2/c11-5-1-3-8-7-9-4-2-6(12)10-7/h2,4,11H,1,3,5H2,(H2,8,9,10,12)
InChIKeyDZFGKSWIDMKERT-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.44
Rot. Bonds4

About 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one

2-(3-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 2069398) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID2069398
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NCCCO)[nH]1
InChIInChI=1S/C7H11N3O2/c11-5-1-3-8-7-9-4-2-6(12)10-7/h2,4,11H,1,3,5H2,(H2,8,9,10,12)
InChIKeyDZFGKSWIDMKERT-UHFFFAOYSA-N
XLogP-0.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one (CID 2069398) is 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one is O=c1ccnc(NCCCO)[nH]1.
What is the InChIKey of 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is DZFGKSWIDMKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-5-1-3-8-7-9-4-2-6(12)10-7/h2,4,11H,1,3,5H2,(H2,8,9,10,12).
What are the key properties of 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
2-(3-hydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 2069398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).