(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane

C21H28N4S — CID 95726693

IUPAC(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
SMILESCSc1nccc(N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)n1
InChIInChI=1S/C21H28N4S/c1-26-20-22-12-8-19(23-20)25-15-11-21(17-25)10-5-13-24(16-21)14-9-18-6-3-2-4-7-18/h2-4,6-8,12H,5,9-11,13-17H2,1H3/t21-/m1/s1
InChIKeyWTTLCZKXPIVASH-OAQYLSRUSA-N
MW368.55 g/mol
LogP3.73
Rot. Bonds5

About (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane

(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 95726693) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
PubChem CID95726693
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane
SMILESCSc1nccc(N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)n1
InChIInChI=1S/C21H28N4S/c1-26-20-22-12-8-19(23-20)25-15-11-21(17-25)10-5-13-24(16-21)14-9-18-6-3-2-4-7-18/h2-4,6-8,12H,5,9-11,13-17H2,1H3/t21-/m1/s1
InChIKeyWTTLCZKXPIVASH-OAQYLSRUSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
N-benzyl-2-thiomorpholinopyrimidin-4-amine
CID 46871648
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
2-[4-[(4-Ethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 791481
2-[4-(3-Phenyl-cyclohex-3-enylmethyl)-piperazin-1-yl]-pyrimidine
CID 10246306
N-{[1-(3-phenylpropyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109401
4-[Benzyl(2,2-dimethylpropyl)amino]pyrimidine-2-carbonitrile
CID 25008106
4-[(2,2-Dimethyl-propyl)-(4-iodo-benzyl)-amino]-pyrimidine-2-carbonitrile
CID 44450361
4-[3-(2-Phenylethyl)-1-piperidinyl]-2-pyrimidinamine
CID 56902535
2-[4-[4-(4-Fluorophenyl)butyl]piperazin-1-yl]pyrimidine
CID 57393083
N-(4-Cyanobenzyl)-N-methyl-1-(2-methylthiopyrimidin-4-yl)piperidin-4-amine
CID 91810394

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane (CID 95726693) is (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane is CSc1nccc(N2CC[C@@]3(CCCN(CCc4ccccc4)C3)C2)n1.
What is the InChIKey of (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is WTTLCZKXPIVASH-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N4S/c1-26-20-22-12-8-19(23-20)25-15-11-21(17-25)10-5-13-24(16-21)14-9-18-6-3-2-4-7-18/h2-4,6-8,12H,5,9-11,13-17H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane?
(5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 368.55 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-methylsulfanylpyrimidin-4-yl)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 95726693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).