3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one

C12H17N3O — CID 19987433

IUPAC3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1Cc1ccncn1
InChIInChI=1S/C12H17N3O/c1-3-11-9(7-15(2)12(11)16)6-10-4-5-13-8-14-10/h4-5,8-9,11H,3,6-7H2,1-2H3
InChIKeyFUNDYXOGPVILRF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.13
Rot. Bonds3

About 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one

3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 19987433) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
PubChem CID19987433
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)N(C)CC1Cc1ccncn1
InChIInChI=1S/C12H17N3O/c1-3-11-9(7-15(2)12(11)16)6-10-4-5-13-8-14-10/h4-5,8-9,11H,3,6-7H2,1-2H3
InChIKeyFUNDYXOGPVILRF-UHFFFAOYSA-N
XLogP1.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one (CID 19987433) is 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one is CCC1C(=O)N(C)CC1Cc1ccncn1.
What is the InChIKey of 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is FUNDYXOGPVILRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-11-9(7-15(2)12(11)16)6-10-4-5-13-8-14-10/h4-5,8-9,11H,3,6-7H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one?
3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-(pyrimidin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).