2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

C20H32N4O2 — CID 70744940

IUPAC2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCC1=O)CCN(c1ncncc1C(C)C)CC2
InChIInChI=1S/C20H32N4O2/c1-16(2)17-13-21-15-22-19(17)23-10-7-20(8-11-23)6-5-18(25)24(14-20)9-4-12-26-3/h13,15-16H,4-12,14H2,1-3H3
InChIKeyJSHSANXIMTXMNW-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.85
Rot. Bonds6

About 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70744940) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70744940
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCCN1CC2(CCC1=O)CCN(c1ncncc1C(C)C)CC2
InChIInChI=1S/C20H32N4O2/c1-16(2)17-13-21-15-22-19(17)23-10-7-20(8-11-23)6-5-18(25)24(14-20)9-4-12-26-3/h13,15-16H,4-12,14H2,1-3H3
InChIKeyJSHSANXIMTXMNW-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713982
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866660
2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxamide
CID 70727411
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715563
9-[(4-ethoxyphenyl)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70716832
2-(3-methoxypropyl)-9-[2-(2-methylimidazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72934308
2-(3-methoxypropyl)-8-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729461
2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765643
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884
2-(3-methoxypropyl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70749883

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70744940) is 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is COCCCN1CC2(CCC1=O)CCN(c1ncncc1C(C)C)CC2.
What is the InChIKey of 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JSHSANXIMTXMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16(2)17-13-21-15-22-19(17)23-10-7-20(8-11-23)6-5-18(25)24(14-20)9-4-12-26-3/h13,15-16H,4-12,14H2,1-3H3.
What are the key properties of 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-9-(5-propan-2-ylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70744940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).