(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C21H28N4OS — CID 97126403

IUPAC(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2c(N3CC[C@]4(CCCN(C5CCCCC5)C4=O)C3)ncnc2s1
InChIInChI=1S/C21H28N4OS/c1-15-12-17-18(22-14-23-19(17)27-15)24-11-9-21(13-24)8-5-10-25(20(21)26)16-6-3-2-4-7-16/h12,14,16H,2-11,13H2,1H3/t21-/m1/s1
InChIKeyPYVVAHAWPJPROZ-OAQYLSRUSA-N
MW384.55 g/mol
LogP4.15
Rot. Bonds2

About (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97126403) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97126403
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc2c(N3CC[C@]4(CCCN(C5CCCCC5)C4=O)C3)ncnc2s1
InChIInChI=1S/C21H28N4OS/c1-15-12-17-18(22-14-23-19(17)27-15)24-11-9-21(13-24)8-5-10-25(20(21)26)16-6-3-2-4-7-16/h12,14,16H,2-11,13H2,1H3/t21-/m1/s1
InChIKeyPYVVAHAWPJPROZ-OAQYLSRUSA-N
XLogP4.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
(5R)-9-(3-bromo-5-methyl-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653270
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036
(5R)-2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97202341
3-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 107070440
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131419
1-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63617392
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427

Frequently Asked Questions

What is the IUPAC name of (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97126403) is (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc2c(N3CC[C@]4(CCCN(C5CCCCC5)C4=O)C3)ncnc2s1.
What is the InChIKey of (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PYVVAHAWPJPROZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-15-12-17-18(22-14-23-19(17)27-15)24-11-9-21(13-24)8-5-10-25(20(21)26)16-6-3-2-4-7-16/h12,14,16H,2-11,13H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 384.55 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-cyclohexyl-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97126403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).