4-(4-hydroxypentylamino)-1H-pyrimidin-6-one

C9H15N3O2 — CID 136902424

IUPAC4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCC(O)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-7(13)3-2-4-10-8-5-9(14)12-6-11-8/h5-7,13H,2-4H2,1H3,(H2,10,11,12,14)
InChIKeyPFFNBKTXPVZXBF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.34
Rot. Bonds5

About 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one

4-(4-hydroxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136902424) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
PubChem CID136902424
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
SMILESCC(O)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H15N3O2/c1-7(13)3-2-4-10-8-5-9(14)12-6-11-8/h5-7,13H,2-4H2,1H3,(H2,10,11,12,14)
InChIKeyPFFNBKTXPVZXBF-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.34
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 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one (CID 136902424) is 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one is CC(O)CCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is PFFNBKTXPVZXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(13)3-2-4-10-8-5-9(14)12-6-11-8/h5-7,13H,2-4H2,1H3,(H2,10,11,12,14).
What are the key properties of 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one?
4-(4-hydroxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136902424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).