6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one

C17H26N4O2 — CID 91779787

IUPAC6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCCC3(CCNC3)C2)nc(=O)[nH]1
InChIInChI=1S/C17H26N4O2/c1-16(2,3)13-9-12(19-15(23)20-13)14(22)21-8-4-5-17(11-21)6-7-18-10-17/h9,18H,4-8,10-11H2,1-3H3,(H,19,20,23)
InChIKeyOMQAQNXHGFZGET-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.28
Rot. Bonds1

About 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one

6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one (PubChem CID 91779787) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one
PubChem CID91779787
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCCC3(CCNC3)C2)nc(=O)[nH]1
InChIInChI=1S/C17H26N4O2/c1-16(2,3)13-9-12(19-15(23)20-13)14(22)21-8-4-5-17(11-21)6-7-18-10-17/h9,18H,4-8,10-11H2,1-3H3,(H,19,20,23)
InChIKeyOMQAQNXHGFZGET-UHFFFAOYSA-N
XLogP1.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-4-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-2-one
CID 72893575
(2-amino-1,3-thiazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 125443768
1-(2,7-diazaspiro[4.5]decan-7-yl)-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 56752064
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
6-methyl-4-(piperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 82509419
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 102849821
2,7-diazaspiro[4.5]decan-7-yl-(3-ethyl-4-pyridinyl)methanone
CID 154762707
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95455811
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
CID 102849542

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one (CID 91779787) is 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one is CC(C)(C)c1cc(C(=O)N2CCCC3(CCNC3)C2)nc(=O)[nH]1.
What is the InChIKey of 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is OMQAQNXHGFZGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-16(2,3)13-9-12(19-15(23)20-13)14(22)21-8-4-5-17(11-21)6-7-18-10-17/h9,18H,4-8,10-11H2,1-3H3,(H,19,20,23).
What are the key properties of 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one?
6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 91779787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).