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

C12H19N3O — CID 136804068

IUPAC2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)15-6-4-5-11(15)10-7-12(16)14-9(3)13-10/h7-8,11H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyVFQFBJNKOMVKSO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds2

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

2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one (PubChem CID 136804068) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
PubChem CID136804068
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCN2C(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(2)15-6-4-5-11(15)10-7-12(16)14-9(3)13-10/h7-8,11H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyVFQFBJNKOMVKSO-UHFFFAOYSA-N
XLogP1.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one (CID 136804068) is 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one is Cc1nc(C2CCCN2C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is VFQFBJNKOMVKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)15-6-4-5-11(15)10-7-12(16)14-9(3)13-10/h7-8,11H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one?
2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136804068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).