4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one

C11H19N3O2 — CID 136883383

IUPAC4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-9(2)16-6-4-3-5-12-10-7-11(15)14-8-13-10/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyAYTSRXQLOXCDIV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.39
Rot. Bonds7

About 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one

4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one (PubChem CID 136883383) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
PubChem CID136883383
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O2/c1-9(2)16-6-4-3-5-12-10-7-11(15)14-8-13-10/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyAYTSRXQLOXCDIV-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135492319
4-[(3-ethoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696631
4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696640
4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730539
4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764961
4-[3-(2-methoxyethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764971
4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764989
4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772474

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one (CID 136883383) is 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one is CC(C)OCCCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is AYTSRXQLOXCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)16-6-4-3-5-12-10-7-11(15)14-8-13-10/h7-9H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one?
4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136883383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).