8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

C17H24N4O2 — CID 131638852

IUPAC8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(c1cc(OC)ncn1)C2
InChIInChI=1S/C17H24N4O2/c1-3-9-21-16(22)6-4-7-17(21)8-5-10-20(12-17)14-11-15(23-2)19-13-18-14/h3,11,13H,1,4-10,12H2,2H3
InChIKeyMYEHMZKPKURFNC-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.02
Rot. Bonds4

About 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one

8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 131638852) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID131638852
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one
SMILESC=CCN1C(=O)CCCC12CCCN(c1cc(OC)ncn1)C2
InChIInChI=1S/C17H24N4O2/c1-3-9-21-16(22)6-4-7-17(21)8-5-10-20(12-17)14-11-15(23-2)19-13-18-14/h3,11,13H,1,4-10,12H2,2H3
InChIKeyMYEHMZKPKURFNC-UHFFFAOYSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S*,5R*)-6-(cyclobutylmethyl)-3-(6-methoxy-4-pyrimidinyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133115684
(4aS*,8aR*)-6-(2-amino-6-methoxypyrimidin-4-yl)-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56885277
(1S,5R)-6-(cyclobutylmethyl)-3-(6-methoxypyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70735892
(6R)-2-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96399302
(6S)-4-(2,6-dimethoxypyrimidin-4-yl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97207038
1-[6-(4-Methoxypyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-5,5-dimethylhexan-1-one
CID 137929783
(4aR,8aS)-1-(3-hydroxypropyl)-6-(6-methoxypyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164632028
8-(6-Methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869158
8-(6-Methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869542
4-[4-(4,4-Difluoropiperidine-1-carbonyl)piperidin-1-yl]-6-methoxypyrimidine
CID 155975858
(4,4-Difluoropiperidin-1-yl)-[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanone
CID 163357861
N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171328398

Frequently Asked Questions

What is the IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one (CID 131638852) is 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is C=CCN1C(=O)CCCC12CCCN(c1cc(OC)ncn1)C2.
What is the InChIKey of 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is MYEHMZKPKURFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-9-21-16(22)6-4-7-17(21)8-5-10-20(12-17)14-11-15(23-2)19-13-18-14/h3,11,13H,1,4-10,12H2,2H3.
What are the key properties of 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one?
8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 316.41 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-methoxypyrimidin-4-yl)-1-prop-2-enyl-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 131638852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).