(2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide

C16H25N5O3 — CID 56747328

IUPAC(2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/C16H25N5O3/c1-4-20(5-2)16(24)13-7-12(17)9-21(13)14(22)6-11-8-18-10(3)19-15(11)23/h8,12-13H,4-7,9,17H2,1-3H3,(H,18,19,23)/t12-,13+/m1/s1
InChIKeyATWSESXCHJAKJM-OLZOCXBDSA-N
MW335.41 g/mol
LogP-0.58
Rot. Bonds5

About (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 56747328) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID56747328
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/C16H25N5O3/c1-4-20(5-2)16(24)13-7-12(17)9-21(13)14(22)6-11-8-18-10(3)19-15(11)23/h8,12-13H,4-7,9,17H2,1-3H3,(H,18,19,23)/t12-,13+/m1/s1
InChIKeyATWSESXCHJAKJM-OLZOCXBDSA-N
XLogP-0.58
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
(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
(2S)-1-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 70752051
5-{2-[(3R*,4S*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 72851740
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
2-methyl-5-[2-oxo-2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 96364302
2-methyl-5-[2-oxo-2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 96364303

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide (CID 56747328) is (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cc1cnc(C)[nH]c1=O.
What is the InChIKey of (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ATWSESXCHJAKJM-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-4-20(5-2)16(24)13-7-12(17)9-21(13)14(22)6-11-8-18-10(3)19-15(11)23/h8,12-13H,4-7,9,17H2,1-3H3,(H,18,19,23)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N,N-diethyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56747328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).