N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

C13H18N4O3 — CID 121120788

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ncn(CCNC(=O)C2CCC(=O)N2)c(=O)c1C
InChIInChI=1S/C13H18N4O3/c1-8-9(2)15-7-17(13(8)20)6-5-14-12(19)10-3-4-11(18)16-10/h7,10H,3-6H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyDYRWYNNPWZMKOU-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.75
Rot. Bonds4

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 121120788) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID121120788
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ncn(CCNC(=O)C2CCC(=O)N2)c(=O)c1C
InChIInChI=1S/C13H18N4O3/c1-8-9(2)15-7-17(13(8)20)6-5-14-12(19)10-3-4-11(18)16-10/h7,10H,3-6H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyDYRWYNNPWZMKOU-UHFFFAOYSA-N
XLogP-0.75
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 121120788) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is Cc1ncn(CCNC(=O)C2CCC(=O)N2)c(=O)c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DYRWYNNPWZMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-9(2)15-7-17(13(8)20)6-5-14-12(19)10-3-4-11(18)16-10/h7,10H,3-6H2,1-2H3,(H,14,19)(H,16,18).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 121120788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).