(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

C17H27N5O3 — CID 56721658

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C17H27N5O3/c1-5-21(6-2)17(25)13-7-11(18)9-22(13)16(24)12-8-19-14(10(3)4)20-15(12)23/h8,10-11,13H,5-7,9,18H2,1-4H3,(H,19,20,23)/t11-,13-/m0/s1
InChIKeyATWRNRQDKIXYOQ-AAEUAGOBSA-N
MW349.44 g/mol
LogP0.30
Rot. Bonds5

About (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56721658) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56721658
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C17H27N5O3/c1-5-21(6-2)17(25)13-7-11(18)9-22(13)16(24)12-8-19-14(10(3)4)20-15(12)23/h8,10-11,13H,5-7,9,18H2,1-4H3,(H,19,20,23)/t11-,13-/m0/s1
InChIKeyATWRNRQDKIXYOQ-AAEUAGOBSA-N
XLogP0.30
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
(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-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
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 56884213
(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 70752051
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-yl]-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide (non-preferred name)
CID 72903491
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

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (CID 56721658) is (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(C(C)C)[nH]c1=O.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ATWRNRQDKIXYOQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-5-21(6-2)17(25)13-7-11(18)9-22(13)16(24)12-8-19-14(10(3)4)20-15(12)23/h8,10-11,13H,5-7,9,18H2,1-4H3,(H,19,20,23)/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56721658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).