(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

C14H20N4O3 — CID 70752051

IUPAC(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-14(2,3)13-16-7-8(11(20)17-13)12(21)18-6-4-5-9(18)10(15)19/h7,9H,4-6H2,1-3H3,(H2,15,19)(H,16,17,20)/t9-/m0/s1
InChIKeyHVBWXUFCZJDRKI-VIFPVBQESA-N
MW292.34 g/mol
LogP0.16
Rot. Bonds2

About (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 70752051) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID70752051
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-14(2,3)13-16-7-8(11(20)17-13)12(21)18-6-4-5-9(18)10(15)19/h7,9H,4-6H2,1-3H3,(H2,15,19)(H,16,17,20)/t9-/m0/s1
InChIKeyHVBWXUFCZJDRKI-VIFPVBQESA-N
XLogP0.16
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
(4S)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56722262
(4R)-4-amino-N,N-diethyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56747328
3-Butyl-4-[(4-hydroxy-2-methylpyrimidin-5-yl)carbonyl]-1-methylpiperazin-2-one
CID 72878704
N-{(3R,5S)-1-cyclopentyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide (non-preferred name)
CID 72924790
N-{(3R,5S)-5-[(diethylamino)carbonyl]-1-isobutylpyrrolidin-3-yl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 72928562
5-[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 97127640
5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 97127641
N-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121121187
N-{2-[cyclopentyl(methyl)amino]ethyl}-N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 124204807

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (CID 70752051) is (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is CC(C)(C)c1ncc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)[nH]1.
What is the InChIKey of (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is HVBWXUFCZJDRKI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2,3)13-16-7-8(11(20)17-13)12(21)18-6-4-5-9(18)10(15)19/h7,9H,4-6H2,1-3H3,(H2,15,19)(H,16,17,20)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70752051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).