1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol

C14H18ClN3OS — CID 61434696

IUPAC1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
SMILESCc1sc2nc(CN3CCCC(O)C3)nc(Cl)c2c1C
InChIInChI=1S/C14H18ClN3OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-4-10(19)6-18/h10,19H,3-7H2,1-2H3
InChIKeyBGXHWMYYBVVYKB-UHFFFAOYSA-N
MW311.84 g/mol
LogP2.92
Rot. Bonds2

About 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol

1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (PubChem CID 61434696) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
PubChem CID61434696
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
SMILESCc1sc2nc(CN3CCCC(O)C3)nc(Cl)c2c1C
InChIInChI=1S/C14H18ClN3OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-4-10(19)6-18/h10,19H,3-7H2,1-2H3
InChIKeyBGXHWMYYBVVYKB-UHFFFAOYSA-N
XLogP2.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol with MolForge

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Related Compounds

1-[[5,6-dimethyl-4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208091
[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol
CID 61406446
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002
4-chloro-2-(cyclohexyloxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43329285
4-chloro-5,6-dimethyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 2566107
4-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 62129002
N,5,6-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133315114
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
CID 61432869
4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 43146912
5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60703001
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol (CID 61434696) is 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol is Cc1sc2nc(CN3CCCC(O)C3)nc(Cl)c2c1C.
What is the InChIKey of 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
The InChIKey is BGXHWMYYBVVYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-8-9(2)20-14-12(8)13(15)16-11(17-14)7-18-5-3-4-10(19)6-18/h10,19H,3-7H2,1-2H3.
What are the key properties of 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol?
1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol has a molecular weight of 311.84 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 61434696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).