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

C20H28N4O2 — CID 97483634

IUPAC(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC[C@]3(CCN(Cc4cc(C)c(C)o4)C3)C2)ncn1
InChIInChI=1S/C20H28N4O2/c1-15-9-17(26-16(15)2)11-23-8-6-20(12-23)5-4-7-24(13-20)18-10-19(25-3)22-14-21-18/h9-10,14H,4-8,11-13H2,1-3H3/t20-/m1/s1
InChIKeyBLECEKFMHKSPRP-HXUWFJFHSA-N
MW356.47 g/mol
LogP3.19
Rot. Bonds4

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

(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 97483634) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
PubChem CID97483634
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCOc1cc(N2CCC[C@]3(CCN(Cc4cc(C)c(C)o4)C3)C2)ncn1
InChIInChI=1S/C20H28N4O2/c1-15-9-17(26-16(15)2)11-23-8-6-20(12-23)5-4-7-24(13-20)18-10-19(25-3)22-14-21-18/h9-10,14H,4-8,11-13H2,1-3H3/t20-/m1/s1
InChIKeyBLECEKFMHKSPRP-HXUWFJFHSA-N
XLogP3.19
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-7-(6-methoxypyrimidin-4-yl)-2-[(5-methylthiophen-2-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483578
2-[[(5S)-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 97483573
7-(5-fluoropyrimidin-2-yl)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 134080133
2-[(4,5-dimethylfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 56717925
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
(5S)-N-cyclohexyl-9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483665
[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-2-ylmethanone
CID 131662967
(5S)-2,9-bis[(5-methylfuran-2-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97482941
(4aR,8aS)-4a-(methoxymethyl)-6-(6-methoxypyrimidin-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363005
1H-indol-5-yl-[9-(6-methoxypyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131656588
10-(6-methoxypyrimidin-4-yl)-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 134070744

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (CID 97483634) is (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is COc1cc(N2CCC[C@]3(CCN(Cc4cc(C)c(C)o4)C3)C2)ncn1.
What is the InChIKey of (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is BLECEKFMHKSPRP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-9-17(26-16(15)2)11-23-8-6-20(12-23)5-4-7-24(13-20)18-10-19(25-3)22-14-21-18/h9-10,14H,4-8,11-13H2,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
(5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 356.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(4,5-dimethylfuran-2-yl)methyl]-7-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 97483634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).