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

C12H19N3O — CID 136976147

IUPAC4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)12-14-10(7-11(16)15-12)13-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyFLOGYTSXKSRVFQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.11
Rot. Bonds5

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

4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136976147) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136976147
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)12-14-10(7-11(16)15-12)13-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyFLOGYTSXKSRVFQ-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclohexylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974200
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
4-[(4-ethylcyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974289
4-[2-[cyclopropyl(methyl)amino]ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975550
4-(piperidin-4-ylmethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136977753
4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974229
4-[(1-methylpyrrolidin-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974125
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989480
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764967
4-[(1,1-dioxothiolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974464

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136976147) is 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FLOGYTSXKSRVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)12-14-10(7-11(16)15-12)13-6-5-9-3-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136976147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).