7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one

C16H23N3OS — CID 102685572

IUPAC7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCNC3CCCC(C)C3)cnc12
InChIInChI=1S/C16H23N3OS/c1-11-4-3-5-13(8-11)17-6-7-19-10-18-14-12(2)9-21-15(14)16(19)20/h9-11,13,17H,3-8H2,1-2H3
InChIKeyVGRSCOGNISWGCW-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.93
Rot. Bonds4

About 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one

7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 102685572) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID102685572
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCNC3CCCC(C)C3)cnc12
InChIInChI=1S/C16H23N3OS/c1-11-4-3-5-13(8-11)17-6-7-19-10-18-14-12(2)9-21-15(14)16(19)20/h9-11,13,17H,3-8H2,1-2H3
InChIKeyVGRSCOGNISWGCW-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 146130124
3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39826176
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564
4-methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 114217446
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 139014058
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
3-[2-(furan-2-ylmethylamino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685535
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-bromo-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyridin-2-one
CID 114761550
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39834339

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one (CID 102685572) is 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CCNC3CCCC(C)C3)cnc12.
What is the InChIKey of 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VGRSCOGNISWGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-4-3-5-13(8-11)17-6-7-19-10-18-14-12(2)9-21-15(14)16(19)20/h9-11,13,17H,3-8H2,1-2H3.
What are the key properties of 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 305.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).