1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione

C14H22N4O3 — CID 60931468

IUPAC1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione
SMILESCC(CN1CCCC1=O)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O3/c1-10(8-18-6-4-5-12(18)19)15-7-11-9-16(2)14(21)17(3)13(11)20/h9-10,15H,4-8H2,1-3H3
InChIKeyUKXPEWNXQFWVKH-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.82
Rot. Bonds5

About 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione (PubChem CID 60931468) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione
PubChem CID60931468
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione
SMILESCC(CN1CCCC1=O)NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O3/c1-10(8-18-6-4-5-12(18)19)15-7-11-9-16(2)14(21)17(3)13(11)20/h9-10,15H,4-8H2,1-3H3
InChIKeyUKXPEWNXQFWVKH-UHFFFAOYSA-N
XLogP-0.82
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione (CID 60931468) is 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione is CC(CN1CCCC1=O)NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is UKXPEWNXQFWVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(8-18-6-4-5-12(18)19)15-7-11-9-16(2)14(21)17(3)13(11)20/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 294.36 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 60931468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).