2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H30N6O — CID 56904043

IUPAC2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ncnc(N2CCN(C(=O)C3CC4(CCNCC4)CN3)CC2)c1C
InChIInChI=1S/C19H30N6O/c1-14-15(2)22-13-23-17(14)24-7-9-25(10-8-24)18(26)16-11-19(12-21-16)3-5-20-6-4-19/h13,16,20-21H,3-12H2,1-2H3
InChIKeyJLNVMARJIDYZSP-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.47
Rot. Bonds2

About 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone

2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56904043) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56904043
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1ncnc(N2CCN(C(=O)C3CC4(CCNCC4)CN3)CC2)c1C
InChIInChI=1S/C19H30N6O/c1-14-15(2)22-13-23-17(14)24-7-9-25(10-8-24)18(26)16-11-19(12-21-16)3-5-20-6-4-19/h13,16,20-21H,3-12H2,1-2H3
InChIKeyJLNVMARJIDYZSP-UHFFFAOYSA-N
XLogP0.47
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(2S,4R)-4-amino-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 70710527
(2S,4R)-4-amino-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-N,N-diethylpyrrolidine-2-carboxamide
CID 70727940
2-[9-(6-Methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide
CID 70783821
N-{2-[(2-butyl-6-methyl-4-pyrimidinyl)amino]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56892424
1-[1-(5,6-Dimethylpyrimidin-4-YL)piperidin-4-YL]-1,4-diazepan-5-one
CID 72926699
(6S)-2-cyclopentyl-8-(2,5,6-trimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96405486
[1-(5-Fluoro-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 108151682
N-[[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 121664214
[4-[(3R)-3-aminopyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 146101204
1-(5-Fluoro-2,6-dimethylpyrimidin-4-yl)-2,3,4,4a,5,6,7,8a-octahydro-1,7-naphthyridin-8-one
CID 154785246
1-{[1-(5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl}pyrrolidin-2-one
CID 56748729
6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56868589

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56904043) is 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1ncnc(N2CCN(C(=O)C3CC4(CCNCC4)CN3)CC2)c1C.
What is the InChIKey of 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is JLNVMARJIDYZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-14-15(2)22-13-23-17(14)24-7-9-25(10-8-24)18(26)16-11-19(12-21-16)3-5-20-6-4-19/h13,16,20-21H,3-12H2,1-2H3.
What are the key properties of 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone?
2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[4.5]decan-3-yl-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56904043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).