4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one

C15H23N3O — CID 136883395

IUPAC4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCC2CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O/c19-14-10-13(17-15(18-14)12-7-8-12)16-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H2,16,17,18,19)
InChIKeyHPPCDPXWKIMSTJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds6

About 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one

4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136883395) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136883395
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCC2CCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O/c19-14-10-13(17-15(18-14)12-7-8-12)16-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H2,16,17,18,19)
InChIKeyHPPCDPXWKIMSTJ-UHFFFAOYSA-N
XLogP3.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136883395) is 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(NCCCC2CCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is HPPCDPXWKIMSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-14-10-13(17-15(18-14)12-7-8-12)16-9-3-6-11-4-1-2-5-11/h10-12H,1-9H2,(H2,16,17,18,19).
What are the key properties of 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 261.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylpropylamino)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).