1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol

C15H22N4OS — CID 62208091

IUPAC1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
SMILESCNc1nc(CN2CCCC(O)C2)nc2sc(C)c(C)c12
InChIInChI=1S/C15H22N4OS/c1-9-10(2)21-15-13(9)14(16-3)17-12(18-15)8-19-6-4-5-11(20)7-19/h11,20H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyQAXOGZHNOZCVHD-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.31
Rot. Bonds3

About 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol

1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol (PubChem CID 62208091) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
PubChem CID62208091
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
SMILESCNc1nc(CN2CCCC(O)C2)nc2sc(C)c(C)c12
InChIInChI=1S/C15H22N4OS/c1-9-10(2)21-15-13(9)14(16-3)17-12(18-15)8-19-6-4-5-11(20)7-19/h11,20H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyQAXOGZHNOZCVHD-UHFFFAOYSA-N
XLogP2.31
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol 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

1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
CID 61434696
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262
trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 133495355
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002
2-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133285559
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133281577
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133271867
5,6-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133377704
2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 133496407
[5,6-dimethyl-2-[(2-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244800
2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
CID 133272554

Frequently Asked Questions

What is the IUPAC name of 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol (CID 62208091) is 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol is CNc1nc(CN2CCCC(O)C2)nc2sc(C)c(C)c12.
What is the InChIKey of 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
The InChIKey is QAXOGZHNOZCVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9-10(2)21-15-13(9)14(16-3)17-12(18-15)8-19-6-4-5-11(20)7-19/h11,20H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol?
1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol has a molecular weight of 306.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 62208091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).