2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

C11H17N3O2 — CID 136772473

IUPAC2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C11H17N3O2/c15-6-2-1-5-12-9-7-10(16)14-11(13-9)8-3-4-8/h7-8,15H,1-6H2,(H2,12,13,14,16)
InChIKeyYLTPQVPQRKYXAM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.83
Rot. Bonds6

About 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (PubChem CID 136772473) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
PubChem CID136772473
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCO)nc(C2CC2)[nH]1
InChIInChI=1S/C11H17N3O2/c15-6-2-1-5-12-9-7-10(16)14-11(13-9)8-3-4-8/h7-8,15H,1-6H2,(H2,12,13,14,16)
InChIKeyYLTPQVPQRKYXAM-UHFFFAOYSA-N
XLogP0.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.83
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-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (CID 136772473) is 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCCO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is YLTPQVPQRKYXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-6-2-1-5-12-9-7-10(16)14-11(13-9)8-3-4-8/h7-8,15H,1-6H2,(H2,12,13,14,16).
What are the key properties of 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136772473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).