8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C20H28N4O — CID 72860734

IUPAC8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CC1=O
InChIInChI=1S/C20H28N4O/c1-15(2)5-8-24-13-20(12-19(24)25)6-9-23(10-7-20)18-11-17(16-3-4-16)21-14-22-18/h5,11,14,16H,3-4,6-10,12-13H2,1-2H3
InChIKeyNXOVREGOQLIWQP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.14
Rot. Bonds4

About 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72860734) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72860734
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)=CCN1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CC1=O
InChIInChI=1S/C20H28N4O/c1-15(2)5-8-24-13-20(12-19(24)25)6-9-23(10-7-20)18-11-17(16-3-4-16)21-14-22-18/h5,11,14,16H,3-4,6-10,12-13H2,1-2H3
InChIKeyNXOVREGOQLIWQP-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbut-2-enyl)-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72849443
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
CID 72928045
4-(6-cyclopropylpyrimidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72857942
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
4-(6-cyclopropylpyrimidin-4-yl)-10-(2-hydroxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72885348
2-(3-methylbut-2-enyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72894081
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261
2-[(4-chlorophenyl)methyl]-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72842368
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 155974233
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432162

Frequently Asked Questions

What is the IUPAC name of 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72860734) is 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is CC(C)=CCN1CC2(CCN(c3cc(C4CC4)ncn3)CC2)CC1=O.
What is the InChIKey of 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is NXOVREGOQLIWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)5-8-24-13-20(12-19(24)25)6-9-23(10-7-20)18-11-17(16-3-4-16)21-14-22-18/h5,11,14,16H,3-4,6-10,12-13H2,1-2H3.
What are the key properties of 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 340.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-cyclopropylpyrimidin-4-yl)-2-(3-methylbut-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72860734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).