6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C20H26N4OS — CID 143976404

IUPAC6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(CN4CCCC[C@@H]4C)sc3n2)o1
InChIInChI=1S/C20H26N4OS/c1-12(2)16-7-8-17(25-16)19-22-18(21)15-10-14(26-20(15)23-19)11-24-9-5-4-6-13(24)3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H2,21,22,23)/t13-/m0/s1
InChIKeyOVKNXZIEPQFHHR-ZDUSSCGKSA-N
MW370.52 g/mol
LogP5.03
Rot. Bonds4

About 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 143976404) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID143976404
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(CN4CCCC[C@@H]4C)sc3n2)o1
InChIInChI=1S/C20H26N4OS/c1-12(2)16-7-8-17(25-16)19-22-18(21)15-10-14(26-20(15)23-19)11-24-9-5-4-6-13(24)3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H2,21,22,23)/t13-/m0/s1
InChIKeyOVKNXZIEPQFHHR-ZDUSSCGKSA-N
XLogP5.03
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-(difluoromethyl)furan-2-yl]-6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 45278948
6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 143976400
6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 67355923
6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-ethylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 67356556
2-(5-chlorofuran-2-yl)-6-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 45279540
2-(5-cyclopropylfuran-2-yl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 143976397
6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 59276689
2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 59276685
6-(azepan-1-ylmethyl)-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 90668272
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59276729
[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 107556962
3-[4-amino-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 45278618

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 143976404) is 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1ccc(-c2nc(N)c3cc(CN4CCCC[C@@H]4C)sc3n2)o1.
What is the InChIKey of 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OVKNXZIEPQFHHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-12(2)16-7-8-17(25-16)19-22-18(21)15-10-14(26-20(15)23-19)11-24-9-5-4-6-13(24)3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H2,21,22,23)/t13-/m0/s1.
What are the key properties of 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 370.52 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-methylpiperidin-1-yl]methyl]-2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 143976404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).