4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one

C13H23N3O2 — CID 136779988

IUPAC4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCNc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)11-8-12(17)16-13(15-11)14-6-5-7-18-10(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyHXWVNCAYQLRPAR-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.12
Rot. Bonds7

About 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one

4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136779988) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
PubChem CID136779988
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCNc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-9(2)11-8-12(17)16-13(15-11)14-6-5-7-18-10(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,16,17)
InChIKeyHXWVNCAYQLRPAR-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.12
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

2-(5-hydroxypentylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780006
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779642
2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780162
2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
CID 136779616
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
2-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 137257492
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766
(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
CID 135553588
6-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)carbamoylamino]hexyl cyanate
CID 137141108
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one
CID 106016840

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one (CID 136779988) is 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one is CC(C)OCCCNc1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is HXWVNCAYQLRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)11-8-12(17)16-13(15-11)14-6-5-7-18-10(3)4/h8-10H,5-7H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136779988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).