ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate

C18H23N5O4S — CID 135848320

IUPACethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(CCC2CNc3nc(N)[nH]c(=O)c3C2)s1
InChIInChI=1S/C18H23N5O4S/c1-2-27-14(24)9-21-17(26)13-6-5-11(28-13)4-3-10-7-12-15(20-8-10)22-18(19)23-16(12)25/h5-6,10H,2-4,7-9H2,1H3,(H,21,26)(H4,19,20,22,23,25)
InChIKeyWYKIWASMPKTIOO-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.92
Rot. Bonds7

About ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate

ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate (PubChem CID 135848320) has the molecular formula C18H23N5O4S and a molecular weight of 405.48 g/mol. Its IUPAC name is ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate
PubChem CID135848320
Molecular FormulaC18H23N5O4S
Molecular Weight405.48 g/mol
Exact Mass405.15
IUPAC Nameethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc(CCC2CNc3nc(N)[nH]c(=O)c3C2)s1
InChIInChI=1S/C18H23N5O4S/c1-2-27-14(24)9-21-17(26)13-6-5-11(28-13)4-3-10-7-12-15(20-8-10)22-18(19)23-16(12)25/h5-6,10H,2-4,7-9H2,1H3,(H,21,26)(H4,19,20,22,23,25)
InChIKeyWYKIWASMPKTIOO-UHFFFAOYSA-N
XLogP0.92
TPSA139.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl 1-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 135548177
(2S,4R)-1-[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]-4-(hydroxymethyl)azetidine-2-carboxylic acid
CID 135548199
2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 155782338
(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 166563301
5-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-N-[(3S)-2,6-dioxoheptan-3-yl]-4-methylthiophene-2-carboxamide
CID 135992025
2-methylpropyl 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoate
CID 135444644
(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 167287833
(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135470396
4-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl azide
CID 136814361
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
methyl 2-[(5-butylthiophene-2-carbonyl)amino]acetate
CID 19427379
(2S)-2-[[4-[[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]methyl]benzoyl]amino]pentanedioic acid
CID 135544291

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate (CID 135848320) is ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1ccc(CCC2CNc3nc(N)[nH]c(=O)c3C2)s1.
What is the InChIKey of ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate?
The InChIKey is WYKIWASMPKTIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4S/c1-2-27-14(24)9-21-17(26)13-6-5-11(28-13)4-3-10-7-12-15(20-8-10)22-18(19)23-16(12)25/h5-6,10H,2-4,7-9H2,1H3,(H,21,26)(H4,19,20,22,23,25).
What are the key properties of ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate?
ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate has a molecular weight of 405.48 g/mol, XLogP of 0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate is sourced from PubChem (CID 135848320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).