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

C16H25N5O4 — CID 56716372

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H25N5O4/c1-4-20(5-2)15(24)12-6-10(17)8-21(12)13(22)7-11-9(3)18-16(25)19-14(11)23/h10,12H,4-8,17H2,1-3H3,(H2,18,19,23,25)/t10-,12-/m0/s1
InChIKeyWVMHHESKGVGSPO-JQWIXIFHSA-N
MW351.41 g/mol
LogP-1.29
Rot. Bonds5

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

(2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 56716372) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID56716372
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H25N5O4/c1-4-20(5-2)15(24)12-6-10(17)8-21(12)13(22)7-11-9(3)18-16(25)19-14(11)23/h10,12H,4-8,17H2,1-3H3,(H2,18,19,23,25)/t10-,12-/m0/s1
InChIKeyWVMHHESKGVGSPO-JQWIXIFHSA-N
XLogP-1.29
TPSA132.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 95719822
2-(dimethylamino)-7-D-prolyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164906
N-butyl-2-[4-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 35359211
6-methyl-5-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 39974871
6-methyl-5-[3-oxo-3-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 53511128
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56703557
(2S,4R)-4-amino-1-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56704050
(4S)-4-amino-N,N-diethyl-1-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56707073
(4R)-4-amino-N,N-diethyl-1-[(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetyl]-L-prolinamide
CID 56708454
(2S,4S)-4-amino-1-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56721623
6-methyl-5-[3-oxo-3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propyl]-1H-pyrimidine-2,4-dione
CID 56800023
8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56809748

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide (CID 56716372) is (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is WVMHHESKGVGSPO-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H25N5O4/c1-4-20(5-2)15(24)12-6-10(17)8-21(12)13(22)7-11-9(3)18-16(25)19-14(11)23/h10,12H,4-8,17H2,1-3H3,(H2,18,19,23,25)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of -1.29, 5 rotatable bonds, 3 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-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56716372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).