(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

C18H28N4O — CID 50957957

IUPAC(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C18H28N4O/c1-13(2)16-19-11-15(14(3)20-16)17(23)22-9-6-18(7-10-22)5-8-21(4)12-18/h11,13H,5-10,12H2,1-4H3
InChIKeyWRMWOAURVZCOGQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.47
Rot. Bonds2

About (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone

(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 50957957) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID50957957
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
SMILESCc1nc(C(C)C)ncc1C(=O)N1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C18H28N4O/c1-13(2)16-19-11-15(14(3)20-16)17(23)22-9-6-18(7-10-22)5-8-21(4)12-18/h11,13H,5-10,12H2,1-4H3
InChIKeyWRMWOAURVZCOGQ-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-propan-2-ylpyrimidin-5-yl)-morpholin-4-ylmethanone
CID 100752745
(4-methylpiperidin-1-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 100752713
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 56915501
[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone
CID 70739896
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-(4-pyrrolidin-3-ylpiperazin-1-yl)methanone
CID 118792373
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95728129
1-methyl-1'-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)spiro[indole-3,3'-piperidine]-2-one
CID 56909632
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753171
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone (CID 50957957) is (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is Cc1nc(C(C)C)ncc1C(=O)N1CCC2(CCN(C)C2)CC1.
What is the InChIKey of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is WRMWOAURVZCOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-13(2)16-19-11-15(14(3)20-16)17(23)22-9-6-18(7-10-22)5-8-21(4)12-18/h11,13H,5-10,12H2,1-4H3.
What are the key properties of (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone?
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 316.45 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 50957957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).