4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C14H20N4O2 — CID 164635543

IUPAC4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncnc(CC)c1C(=O)NC[C@@H]1CNC(=O)C1
InChIInChI=1S/C14H20N4O2/c1-3-10-13(11(4-2)18-8-17-10)14(20)16-7-9-5-12(19)15-6-9/h8-9H,3-7H2,1-2H3,(H,15,19)(H,16,20)/t9-/m0/s1
InChIKeyRFSOFUJYNOJKPC-VIFPVBQESA-N
MW276.34 g/mol
LogP0.47
Rot. Bonds5

About 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 164635543) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID164635543
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCCc1ncnc(CC)c1C(=O)NC[C@@H]1CNC(=O)C1
InChIInChI=1S/C14H20N4O2/c1-3-10-13(11(4-2)18-8-17-10)14(20)16-7-9-5-12(19)15-6-9/h8-9H,3-7H2,1-2H3,(H,15,19)(H,16,20)/t9-/m0/s1
InChIKeyRFSOFUJYNOJKPC-VIFPVBQESA-N
XLogP0.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 164635543) is 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is CCc1ncnc(CC)c1C(=O)NC[C@@H]1CNC(=O)C1.
What is the InChIKey of 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is RFSOFUJYNOJKPC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-10-13(11(4-2)18-8-17-10)14(20)16-7-9-5-12(19)15-6-9/h8-9H,3-7H2,1-2H3,(H,15,19)(H,16,20)/t9-/m0/s1.
What are the key properties of 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-N-[[(3S)-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 164635543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).