4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C19H18N6O2S — CID 58413293

IUPAC4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c12
InChIInChI=1S/C19H18N6O2S/c1-11-13-16(23-10-24-18(13)28-14(11)15(21)26)25-12-3-2-8-22-17(12)27-9-19(4-5-19)6-7-20/h2-3,8,10H,4-6,9H2,1H3,(H2,21,26)(H,23,24,25)
InChIKeyVNWPPUXJYLINMG-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.31
Rot. Bonds7

About 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413293) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413293
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c12
InChIInChI=1S/C19H18N6O2S/c1-11-13-16(23-10-24-18(13)28-14(11)15(21)26)25-12-3-2-8-22-17(12)27-9-19(4-5-19)6-7-20/h2-3,8,10H,4-6,9H2,1H3,(H2,21,26)(H,23,24,25)
InChIKeyVNWPPUXJYLINMG-UHFFFAOYSA-N
XLogP3.31
TPSA126.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 58413293) is 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC3(CC#N)CC3)c12.
What is the InChIKey of 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VNWPPUXJYLINMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-11-13-16(23-10-24-18(13)28-14(11)15(21)26)25-12-3-2-8-22-17(12)27-9-19(4-5-19)6-7-20/h2-3,8,10H,4-6,9H2,1H3,(H2,21,26)(H,23,24,25).
What are the key properties of 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).