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

C12H19N3O2 — CID 136706907

IUPAC4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-13-10(6-11(16)14-12)15-5-4-9(7-15)17-3/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyKJHJQXRUPOPMKV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds3

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

4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136706907) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136706907
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C12H19N3O2/c1-8(2)12-13-10(6-11(16)14-12)15-5-4-9(7-15)17-3/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,16)
InChIKeyKJHJQXRUPOPMKV-UHFFFAOYSA-N
XLogP1.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 139019362
2-methyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241429
2-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241434
2-cyclopropyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792731
2-ethyl-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792732
2-ethyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586317
2-cyclopropyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586318
2-propan-2-yl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586319
2-methyl-4-pyrrolidin-3-yloxy-1H-pyrimidin-6-one
CID 114586323
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
4-(3-methoxypyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136706901
2-cyclopropyl-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136706903

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136706907) is 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is COC1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is KJHJQXRUPOPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)12-13-10(6-11(16)14-12)15-5-4-9(7-15)17-3/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,16).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136706907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).