N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide

C19H18N4O3S — CID 9177345

IUPACN-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
SMILESCc1sc2nc(CC(=O)NN=C3CCOc4ccccc43)[nH]c(=O)c2c1C
InChIInChI=1S/C19H18N4O3S/c1-10-11(2)27-19-17(10)18(25)20-15(21-19)9-16(24)23-22-13-7-8-26-14-6-4-3-5-12(13)14/h3-6H,7-9H2,1-2H3,(H,23,24)(H,20,21,25)
InChIKeyZCFRVTZZYKOAOS-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.45
Rot. Bonds3

About N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide

N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide (PubChem CID 9177345) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
PubChem CID9177345
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
SMILESCc1sc2nc(CC(=O)NN=C3CCOc4ccccc43)[nH]c(=O)c2c1C
InChIInChI=1S/C19H18N4O3S/c1-10-11(2)27-19-17(10)18(25)20-15(21-19)9-16(24)23-22-13-7-8-26-14-6-4-3-5-12(13)14/h3-6H,7-9H2,1-2H3,(H,23,24)(H,20,21,25)
InChIKeyZCFRVTZZYKOAOS-UHFFFAOYSA-N
XLogP2.45
TPSA96.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 8785074
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[[(3R)-3-ethylcyclopentylidene]amino]acetamide
CID 129448484
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 9177265
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177304
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177248
N'-[2-(4-chlorophenoxy)acetyl]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetohydrazide
CID 4808802
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177323
2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 55352687
N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]-2-phenylsulfanylpropanehydrazide
CID 4808821
N'-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 4808815
1-[[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8601804
3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86845012

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide (CID 9177345) is N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide is Cc1sc2nc(CC(=O)NN=C3CCOc4ccccc43)[nH]c(=O)c2c1C.
What is the InChIKey of N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
The InChIKey is ZCFRVTZZYKOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-10-11(2)27-19-17(10)18(25)20-15(21-19)9-16(24)23-22-13-7-8-26-14-6-4-3-5-12(13)14/h3-6H,7-9H2,1-2H3,(H,23,24)(H,20,21,25).
What are the key properties of N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide?
N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide has a molecular weight of 382.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 9177345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).