(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane

C19H26N4OS — CID 97483578

IUPAC(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC[C@@]3(CCN(Cc4ccc(C)s4)C3)C2)ncn1
InChIInChI=1S/C19H26N4OS/c1-15-4-5-16(25-15)11-22-9-7-19(12-22)6-3-8-23(13-19)17-10-18(24-2)21-14-20-17/h4-5,10,14H,3,6-9,11-13H2,1-2H3/t19-/m0/s1
InChIKeyUVQGWLMQEPYWAG-IBGZPJMESA-N
MW358.51 g/mol
LogP3.35
Rot. Bonds4

About (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane

(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 97483578) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID97483578
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC[C@@]3(CCN(Cc4ccc(C)s4)C3)C2)ncn1
InChIInChI=1S/C19H26N4OS/c1-15-4-5-16(25-15)11-22-9-7-19(12-22)6-3-8-23(13-19)17-10-18(24-2)21-14-20-17/h4-5,10,14H,3,6-9,11-13H2,1-2H3/t19-/m0/s1
InChIKeyUVQGWLMQEPYWAG-IBGZPJMESA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 97483634
2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97483573
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
10-[(5-methylthiophen-2-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131658072
(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
(6R)-4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492189
7-(6-methoxypyrimidin-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118740768
8-(6-methylpyridazin-3-yl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131660482

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane (CID 97483578) is (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane is COc1cc(N2CCC[C@@]3(CCN(Cc4ccc(C)s4)C3)C2)ncn1.
What is the InChIKey of (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is UVQGWLMQEPYWAG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15-4-5-16(25-15)11-22-9-7-19(12-22)6-3-8-23(13-19)17-10-18(24-2)21-14-20-17/h4-5,10,14H,3,6-9,11-13H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane?
(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 358.51 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97483578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).