[5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate

C19H17N5O3S2 — CID 68630984

IUPAC[5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCOCC3)nc(-c3cc4ccccc4s3)c2c1N
InChIInChI=1S/C19H17N5O3S2/c20-14-13-15(12-9-10-3-1-2-4-11(10)28-12)22-19(24-5-7-26-8-6-24)23-16(13)29-17(14)27-18(21)25/h1-4,9H,5-8,20H2,(H2,21,25)
InChIKeyPPEPZLPFTPKLKL-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.45
Rot. Bonds3

About [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate

[5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate (PubChem CID 68630984) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate.

Molecular Properties

Compound Name[5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
PubChem CID68630984
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC Name[5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCOCC3)nc(-c3cc4ccccc4s3)c2c1N
InChIInChI=1S/C19H17N5O3S2/c20-14-13-15(12-9-10-3-1-2-4-11(10)28-12)22-19(24-5-7-26-8-6-24)23-16(13)29-17(14)27-18(21)25/h1-4,9H,5-8,20H2,(H2,21,25)
InChIKeyPPEPZLPFTPKLKL-UHFFFAOYSA-N
XLogP3.45
TPSA116.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[5-amino-4-(5-methylfuran-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68631893
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
CID 71481720
N-(2-morpholin-4-ylpyrimidin-5-yl)-1-benzothiophene-2-carboxamide
CID 122298901
2-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 154396001
[3-amino-4-methyl-6-(3-methylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134993
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 122254849
[3-amino-4-(1-benzofuran-2-yl)-5-cyano-6-(4-pyrrolidin-1-ylpiperidin-1-yl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 71133847
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
[5-amino-2-tert-butyl-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68633408
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
3-amino-4-methyl-6-morpholin-4-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 22269064
[3-amino-2-(aminomethoxy)-6-methylthieno[2,3-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 71088670

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
The IUPAC name of [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate (CID 68630984) is [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate.
What is the SMILES notation for [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
The canonical SMILES for [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate is NC(=O)Oc1sc2nc(N3CCOCC3)nc(-c3cc4ccccc4s3)c2c1N.
What is the InChIKey of [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
The InChIKey is PPEPZLPFTPKLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c20-14-13-15(12-9-10-3-1-2-4-11(10)28-12)22-19(24-5-7-26-8-6-24)23-16(13)29-17(14)27-18(21)25/h1-4,9H,5-8,20H2,(H2,21,25).
What are the key properties of [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate?
[5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate has a molecular weight of 427.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-(1-benzothiophen-2-yl)-2-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl] carbamate is sourced from PubChem (CID 68630984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).