(2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide

C14H21N5O4 — CID 56704050

IUPAC(2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H21N5O4/c1-3-18(4-2)13(22)10-5-8(15)7-19(10)12(21)9-6-11(20)17-14(23)16-9/h6,8,10H,3-5,7,15H2,1-2H3,(H2,16,17,20,23)/t8-,10+/m1/s1
InChIKeyFHEGLYQLZVBJFV-SCZZXKLOSA-N
MW323.35 g/mol
LogP-1.53
Rot. Bonds4

About (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56704050) has the molecular formula C14H21N5O4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56704050
Molecular FormulaC14H21N5O4
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name(2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H21N5O4/c1-3-18(4-2)13(22)10-5-8(15)7-19(10)12(21)9-6-11(20)17-14(23)16-9/h6,8,10H,3-5,7,15H2,1-2H3,(H2,16,17,20,23)/t8-,10+/m1/s1
InChIKeyFHEGLYQLZVBJFV-SCZZXKLOSA-N
XLogP-1.53
TPSA132.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide (CID 56704050) is (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is FHEGLYQLZVBJFV-SCZZXKLOSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-3-18(4-2)13(22)10-5-8(15)7-19(10)12(21)9-6-11(20)17-14(23)16-9/h6,8,10H,3-5,7,15H2,1-2H3,(H2,16,17,20,23)/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of -1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56704050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).