(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane

C21H28N4S — CID 97282637

IUPAC(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane
SMILESCSc1ncc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN3C)cn1
InChIInChI=1S/C21H28N4S/c1-24-16-19(18-6-4-3-5-7-18)12-21(24)8-10-25(11-9-21)15-17-13-22-20(26-2)23-14-17/h3-7,13-14,19H,8-12,15-16H2,1-2H3/t19-/m0/s1
InChIKeyHZXBAZUEXLDPRG-IBGZPJMESA-N
MW368.55 g/mol
LogP3.65
Rot. Bonds4

About (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane

(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane (PubChem CID 97282637) has the molecular formula C21H28N4S and a molecular weight of 368.55 g/mol. Its IUPAC name is (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane
PubChem CID97282637
Molecular FormulaC21H28N4S
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Name(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane
SMILESCSc1ncc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN3C)cn1
InChIInChI=1S/C21H28N4S/c1-24-16-19(18-6-4-3-5-7-18)12-21(24)8-10-25(11-9-21)15-17-13-22-20(26-2)23-14-17/h3-7,13-14,19H,8-12,15-16H2,1-2H3/t19-/m0/s1
InChIKeyHZXBAZUEXLDPRG-IBGZPJMESA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-ethyl-9-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97454779
(3S)-8-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97274872
N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
CID 72897502
(3S)-1-methyl-8-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1,8-diazaspiro[4.5]decane
CID 97276503
N-methyl-5-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]furan-2-carboxamide
CID 72924876
8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72894428
methyl 2-[[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-oxazole-4-carboxylate
CID 97280513
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97150369
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45248351

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane (CID 97282637) is (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane is CSc1ncc(CN2CCC3(CC2)C[C@H](c2ccccc2)CN3C)cn1.
What is the InChIKey of (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
The InChIKey is HZXBAZUEXLDPRG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N4S/c1-24-16-19(18-6-4-3-5-7-18)12-21(24)8-10-25(11-9-21)15-17-13-22-20(26-2)23-14-17/h3-7,13-14,19H,8-12,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane?
(3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane has a molecular weight of 368.55 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-8-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97282637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).