2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one

C15H18N4OS — CID 136536885

IUPAC2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3ncnc4ccsc34)CC2)C1=O
InChIInChI=1S/C15H18N4OS/c1-18-6-3-15(14(18)20)4-7-19(8-5-15)13-12-11(2-9-21-12)16-10-17-13/h2,9-10H,3-8H2,1H3
InChIKeyRBYJDAWNMAKPIJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.14
Rot. Bonds1

About 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one

2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 136536885) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID136536885
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3ncnc4ccsc34)CC2)C1=O
InChIInChI=1S/C15H18N4OS/c1-18-6-3-15(14(18)20)4-7-19(8-5-15)13-12-11(2-9-21-12)16-10-17-13/h2,9-10H,3-8H2,1H3
InChIKeyRBYJDAWNMAKPIJ-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1,10-dimethyl-4-thieno[3,2-d]pyrimidin-4-yl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97201141
4-thieno[3,2-d]pyrimidin-4-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecane 9,9-dioxide
CID 138050750
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 86773022
8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 154740101
(1-methylpyrrol-3-yl)-(9-thieno[3,2-d]pyrimidin-4-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone
CID 131679286
2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
CID 2807675
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one (CID 136536885) is 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(c3ncnc4ccsc34)CC2)C1=O.
What is the InChIKey of 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is RBYJDAWNMAKPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-18-6-3-15(14(18)20)4-7-19(8-5-15)13-12-11(2-9-21-12)16-10-17-13/h2,9-10H,3-8H2,1H3.
What are the key properties of 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 302.40 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 136536885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).