4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C14H25N3O2 — CID 136764967

IUPAC4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)9-19-7-5-6-15-12-8-13(18)17-14(16-12)11(3)4/h8,10-11H,5-7,9H2,1-4H3,(H2,15,16,17,18)
InChIKeyBDLUWUDWVDVARH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.37
Rot. Bonds8

About 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136764967) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136764967
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)COCCCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-10(2)9-19-7-5-6-15-12-8-13(18)17-14(16-12)11(3)4/h8,10-11H,5-7,9H2,1-4H3,(H2,15,16,17,18)
InChIKeyBDLUWUDWVDVARH-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.37
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-[2-(2-methylpropoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016699
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
4-(3-phenoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975368
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974229
tert-butyl N-[3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136900907
4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136764967) is 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)COCCCNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BDLUWUDWVDVARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)9-19-7-5-6-15-12-8-13(18)17-14(16-12)11(3)4/h8,10-11H,5-7,9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 267.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).