(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C16H25N5O3 — CID 136916469

IUPAC(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1
InChIInChI=1S/C16H25N5O3/c1-11-8-14(22)19-13(18-11)4-5-17-16(24)12-9-15(23)21(10-12)7-6-20(2)3/h8,12H,4-7,9-10H2,1-3H3,(H,17,24)(H,18,19,22)/t12-/m0/s1
InChIKeyOYVPFSIMKPYLFC-LBPRGKRZSA-N
MW335.41 g/mol
LogP-0.85
Rot. Bonds7

About (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 136916469) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID136916469
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1
InChIInChI=1S/C16H25N5O3/c1-11-8-14(22)19-13(18-11)4-5-17-16(24)12-9-15(23)21(10-12)7-6-20(2)3/h8,12H,4-7,9-10H2,1-3H3,(H,17,24)(H,18,19,22)/t12-/m0/s1
InChIKeyOYVPFSIMKPYLFC-LBPRGKRZSA-N
XLogP-0.85
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 136086553
2,6-Dimethyl-3-(pyrrolidin-3-ylmethyl)pyrimidin-4-one
CID 63769194
1-[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 91828828
3-methyl-N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]butanamide
CID 124232605
(3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 124752631
(3S)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 124752632
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 135990848
2-[4-[(2-methylpropylamino)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 136095615
2-(1-isopropyl-3-oxo-2-piperazinyl)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]acetamide
CID 136100621
1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 136231847
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]acetamide
CID 136663772
4-[(5-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136679994

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 136916469) is (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1.
What is the InChIKey of (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OYVPFSIMKPYLFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-11-8-14(22)19-13(18-11)4-5-17-16(24)12-9-15(23)21(10-12)7-6-20(2)3/h8,12H,4-7,9-10H2,1-3H3,(H,17,24)(H,18,19,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136916469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).