4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C20H20N4OS2 — CID 42471704

IUPAC4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12
InChIInChI=1S/C20H20N4OS2/c1-11(2)24-19(25)17-12(3)16-18(22-10-23-20(16)27-17)21-9-14-8-13-6-4-5-7-15(13)26-14/h4-8,10-11H,9H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyUQEBCICUXSCBMV-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.96
Rot. Bonds5

About 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42471704) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42471704
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC Name4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12
InChIInChI=1S/C20H20N4OS2/c1-11(2)24-19(25)17-12(3)16-18(22-10-23-20(16)27-17)21-9-14-8-13-6-4-5-7-15(13)26-14/h4-8,10-11H,9H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyUQEBCICUXSCBMV-UHFFFAOYSA-N
XLogP4.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 45243788
4-(1-benzothiophen-2-ylmethylamino)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26399311
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45166756
4-(furan-2-ylmethylamino)-5-methyl-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26326223
N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 125171845
N-tert-butyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26357864
N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42499865
N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45221724
5-methyl-4-(pyridin-2-ylmethylamino)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26361552
N-ethyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42451304
N-cycloheptyl-4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26283046

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 42471704) is 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC(C)C)sc2ncnc(NCc3cc4ccccc4s3)c12.
What is the InChIKey of 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UQEBCICUXSCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-11(2)24-19(25)17-12(3)16-18(22-10-23-20(16)27-17)21-9-14-8-13-6-4-5-7-15(13)26-14/h4-8,10-11H,9H2,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42471704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).