9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

C21H33N5O — CID 70783267

IUPAC9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1cnc(C)nc1N1CCC2(CCC(=O)N(C3CCN(C)C3)C2)CC1
InChIInChI=1S/C21H33N5O/c1-4-17-13-22-16(2)23-20(17)25-11-8-21(9-12-25)7-5-19(27)26(15-21)18-6-10-24(3)14-18/h13,18H,4-12,14-15H2,1-3H3
InChIKeyQMPHVNNUSHOLPE-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.26
Rot. Bonds3

About 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70783267) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70783267
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1cnc(C)nc1N1CCC2(CCC(=O)N(C3CCN(C)C3)C2)CC1
InChIInChI=1S/C21H33N5O/c1-4-17-13-22-16(2)23-20(17)25-11-8-21(9-12-25)7-5-19(27)26(15-21)18-6-10-24(3)14-18/h13,18H,4-12,14-15H2,1-3H3
InChIKeyQMPHVNNUSHOLPE-UHFFFAOYSA-N
XLogP2.26
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 44292309
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(1,4'-bipiperidin)-1'-yl-7-methyl-, monohydrochloride
CID 3078666
1-(Cyclohexylmethyl)-4-[(5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 56885799
2-(3-Hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70707165
8-[(2-Ethylpyrimidin-5-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725983
2-Methyl-8-[(2-methyl-5-pyrimidinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70754159
2-Cyclopentyl-8-(5-propyl-4-pyrimidinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756429
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
2-Cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70786979
2-Ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449700
2-[2-(Dimethylamino)ethyl]-9-[(2-isopropylpyrimidin-5-YL)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70715515
9-(5-Ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70722334

Frequently Asked Questions

What is the IUPAC name of 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70783267) is 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is CCc1cnc(C)nc1N1CCC2(CCC(=O)N(C3CCN(C)C3)C2)CC1.
What is the InChIKey of 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QMPHVNNUSHOLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-4-17-13-22-16(2)23-20(17)25-11-8-21(9-12-25)7-5-19(27)26(15-21)18-6-10-24(3)14-18/h13,18H,4-12,14-15H2,1-3H3.
What are the key properties of 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.53 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-ethyl-2-methylpyrimidin-4-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70783267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).