6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one

C16H23N3O2 — CID 131906230

IUPAC6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CC=CC2C(C)C)nc(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-10(2)8-12-9-13(18-16(21)17-12)15(20)19-7-5-6-14(19)11(3)4/h5-6,9-11,14H,7-8H2,1-4H3,(H,17,18,21)
InChIKeyLDBQUOATXMDZNS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.01
Rot. Bonds4

About 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one

6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 131906230) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID131906230
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CC=CC2C(C)C)nc(=O)[nH]1
InChIInChI=1S/C16H23N3O2/c1-10(2)8-12-9-13(18-16(21)17-12)15(20)19-7-5-6-14(19)11(3)4/h5-6,9-11,14H,7-8H2,1-4H3,(H,17,18,21)
InChIKeyLDBQUOATXMDZNS-UHFFFAOYSA-N
XLogP2.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one (CID 131906230) is 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CC=CC2C(C)C)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is LDBQUOATXMDZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)8-12-9-13(18-16(21)17-12)15(20)19-7-5-6-14(19)11(3)4/h5-6,9-11,14H,7-8H2,1-4H3,(H,17,18,21).
What are the key properties of 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one?
6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 131906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).