7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride

C16H28Cl2N4S — CID 154891825

IUPAC7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
SMILESCCCSc1ncc(CN2CCCC3(CCNC3)C2)cn1.Cl.Cl
InChIInChI=1S/C16H26N4S.2ClH/c1-2-8-21-15-18-9-14(10-19-15)11-20-7-3-4-16(13-20)5-6-17-12-16;;/h9-10,17H,2-8,11-13H2,1H3;2*1H
InChIKeyNDJVUBNDPORAAH-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.40
Rot. Bonds5

About 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride

7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride (PubChem CID 154891825) has the molecular formula C16H28Cl2N4S and a molecular weight of 379.40 g/mol. Its IUPAC name is 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride.

Molecular Properties

Compound Name7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
PubChem CID154891825
Molecular FormulaC16H28Cl2N4S
Molecular Weight379.40 g/mol
Exact Mass378.14
IUPAC Name7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
SMILESCCCSc1ncc(CN2CCCC3(CCNC3)C2)cn1.Cl.Cl
InChIInChI=1S/C16H26N4S.2ClH/c1-2-8-21-15-18-9-14(10-19-15)11-20-7-3-4-16(13-20)5-6-17-12-16;;/h9-10,17H,2-8,11-13H2,1H3;2*1H
InChIKeyNDJVUBNDPORAAH-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-propylsulfanylpyrimidin-5-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 56883718
N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
CID 95203310
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 120907192
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
2-[4-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)pyrazol-1-yl]ethanol
CID 102849304
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154886143
7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56752325

Frequently Asked Questions

What is the IUPAC name of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The IUPAC name of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride (CID 154891825) is 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride.
What is the SMILES notation for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The canonical SMILES for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride is CCCSc1ncc(CN2CCCC3(CCNC3)C2)cn1.Cl.Cl.
What is the InChIKey of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
The InChIKey is NDJVUBNDPORAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S.2ClH/c1-2-8-21-15-18-9-14(10-19-15)11-20-7-3-4-16(13-20)5-6-17-12-16;;/h9-10,17H,2-8,11-13H2,1H3;2*1H.
What are the key properties of 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride?
7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride has a molecular weight of 379.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-propylsulfanylpyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride is sourced from PubChem (CID 154891825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).