N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

C14H20N4O2 — CID 125171995

IUPACN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCC(C)(C)N1C[C@@H](CNC(=O)c2cncnc2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-14(2,3)18-8-10(4-12(18)19)5-17-13(20)11-6-15-9-16-7-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)/t10-/m1/s1
InChIKeyXRAQTMMNLCRULL-SNVBAGLBSA-N
MW276.34 g/mol
LogP0.85
Rot. Bonds3

About N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide

N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 125171995) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID125171995
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCC(C)(C)N1C[C@@H](CNC(=O)c2cncnc2)CC1=O
InChIInChI=1S/C14H20N4O2/c1-14(2,3)18-8-10(4-12(18)19)5-17-13(20)11-6-15-9-16-7-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)/t10-/m1/s1
InChIKeyXRAQTMMNLCRULL-SNVBAGLBSA-N
XLogP0.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide (CID 125171995) is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is CC(C)(C)N1C[C@@H](CNC(=O)c2cncnc2)CC1=O.
What is the InChIKey of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is XRAQTMMNLCRULL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-14(2,3)18-8-10(4-12(18)19)5-17-13(20)11-6-15-9-16-7-11/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)/t10-/m1/s1.
What are the key properties of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide?
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 125171995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).