[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol

C14H17N3OS — CID 83184198

IUPAC[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(N2CCc3sccc3C2C)ncc1CO
InChIInChI=1S/C14H17N3OS/c1-9-11(8-18)7-15-14(16-9)17-5-3-13-12(10(17)2)4-6-19-13/h4,6-7,10,18H,3,5,8H2,1-2H3
InChIKeyAQBZVMNVUAVAIU-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.46
Rot. Bonds2

About [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol

[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol (PubChem CID 83184198) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol
PubChem CID83184198
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(N2CCc3sccc3C2C)ncc1CO
InChIInChI=1S/C14H17N3OS/c1-9-11(8-18)7-15-14(16-9)17-5-3-13-12(10(17)2)4-6-19-13/h4,6-7,10,18H,3,5,8H2,1-2H3
InChIKeyAQBZVMNVUAVAIU-UHFFFAOYSA-N
XLogP2.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(chloromethyl)-2-methyl-4-pyridinyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 81233771
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-5-nitropyrimidin-4-amine
CID 97189194
[3-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanol
CID 55040315
[6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridazin-3-yl]methanamine
CID 55054928
ethyl 6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridine-3-carboxylate
CID 103610280
N-[[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62767515
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122
N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815193
[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
CID 83184186
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815106
5-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62857530
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde
CID 62766605

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol (CID 83184198) is [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol is Cc1nc(N2CCc3sccc3C2C)ncc1CO.
What is the InChIKey of [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol?
The InChIKey is AQBZVMNVUAVAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-11(8-18)7-15-14(16-9)17-5-3-13-12(10(17)2)4-6-19-13/h4,6-7,10,18H,3,5,8H2,1-2H3.
What are the key properties of [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol?
[4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol has a molecular weight of 275.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).