2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H28N4O3 — CID 72868469

IUPAC2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O3/c1-14-21-11-16(19(27)22-14)10-18(26)23-8-6-20(7-9-23)5-4-17(25)24(13-20)12-15-2-3-15/h11,15H,2-10,12-13H2,1H3,(H,21,22,27)
InChIKeyGVLBXLWFGBAPMX-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.26
Rot. Bonds4

About 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72868469) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72868469
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1ncc(CC(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H28N4O3/c1-14-21-11-16(19(27)22-14)10-18(26)23-8-6-20(7-9-23)5-4-17(25)24(13-20)12-15-2-3-15/h11,15H,2-10,12-13H2,1H3,(H,21,22,27)
InChIKeyGVLBXLWFGBAPMX-UHFFFAOYSA-N
XLogP1.26
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxyethyl)-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72841912
2-Cyclopropyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72926419
(4aS*,8aR*)-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906413
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1,4'-bipiperidine-3-carboxamide
CID 56869953
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
8-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70736617
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392
2-methyl-5-{2-oxo-2-[4-(1-piperidinylcarbonyl)-1-piperidinyl]ethyl}-4(3H)-pyrimidinone
CID 56906487
2-Cyclopropyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727533
2-(2-Hydroxyethyl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70754587
2-(Cyclopropylmethyl)-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70758504
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70783120

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72868469) is 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1ncc(CC(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GVLBXLWFGBAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-21-11-16(19(27)22-14)10-18(26)23-8-6-20(7-9-23)5-4-17(25)24(13-20)12-15-2-3-15/h11,15H,2-10,12-13H2,1H3,(H,21,22,27).
What are the key properties of 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.47 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72868469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).