N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C20H21N3O3S — CID 16619176

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1sc2ncn(CCC(=O)NC3CCOc4ccccc43)c(=O)c2c1C
InChIInChI=1S/C20H21N3O3S/c1-12-13(2)27-19-18(12)20(25)23(11-21-19)9-7-17(24)22-15-8-10-26-16-6-4-3-5-14(15)16/h3-6,11,15H,7-10H2,1-2H3,(H,22,24)
InChIKeyNPUBTAWGYJLCNC-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.10
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 16619176) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID16619176
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1sc2ncn(CCC(=O)NC3CCOc4ccccc43)c(=O)c2c1C
InChIInChI=1S/C20H21N3O3S/c1-12-13(2)27-19-18(12)20(25)23(11-21-19)9-7-17(24)22-15-8-10-26-16-6-4-3-5-14(15)16/h3-6,11,15H,7-10H2,1-2H3,(H,22,24)
InChIKeyNPUBTAWGYJLCNC-UHFFFAOYSA-N
XLogP3.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 18150899
2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46606254
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 55509278
N-(3,4-dihydro-2H-chromen-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121783
N'-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]cyclopropanecarbohydrazide
CID 36706486
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanehydrazide
CID 60713001
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 17468783
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 16618781
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 95850125
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CID 41194474
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 16619176) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is Cc1sc2ncn(CCC(=O)NC3CCOc4ccccc43)c(=O)c2c1C.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is NPUBTAWGYJLCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12-13(2)27-19-18(12)20(25)23(11-21-19)9-7-17(24)22-15-8-10-26-16-6-4-3-5-14(15)16/h3-6,11,15H,7-10H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 16619176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).