N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C20H18N4O3S — CID 18686793

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccno3)nc2s1
InChIInChI=1S/C20H18N4O3S/c1-2-13-10-14-18(23-19(24-20(14)28-13)16-5-6-22-27-16)21-11-12-3-4-15-17(9-12)26-8-7-25-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23,24)
InChIKeyVLYHRVBUMZHQFR-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.29
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18686793) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18686793
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccno3)nc2s1
InChIInChI=1S/C20H18N4O3S/c1-2-13-10-14-18(23-19(24-20(14)28-13)16-5-6-22-27-16)21-11-12-3-4-15-17(9-12)26-8-7-25-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23,24)
InChIKeyVLYHRVBUMZHQFR-UHFFFAOYSA-N
XLogP4.29
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686800
N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18686849
N-benzyl-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460321
N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460066
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-pyrazol-1-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18459950
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965182
5-chloro-N-[(3,4-dichlorophenyl)methyl]-6-methyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 18460507
N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686797
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-methyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18686938
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-6-ethylthieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid
CID 23289697
6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18460042
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18686793) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccc4c(c3)OCCO4)nc(-c3ccno3)nc2s1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VLYHRVBUMZHQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-2-13-10-14-18(23-19(24-20(14)28-13)16-5-6-22-27-16)21-11-12-3-4-15-17(9-12)26-8-7-25-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 394.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18686793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).