9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H34N4O2 — CID 97139211

IUPAC9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cnc(C)nc1N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1
InChIInChI=1S/C22H34N4O2/c1-3-5-18-14-23-17(2)24-21(18)25-11-9-22(10-12-25)8-7-20(27)26(16-22)15-19-6-4-13-28-19/h14,19H,3-13,15-16H2,1-2H3/t19-/m0/s1
InChIKeyOVRNEHGQQGZQBC-IBGZPJMESA-N
MW386.54 g/mol
LogP3.13
Rot. Bonds5

About 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one

9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97139211) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97139211
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCCc1cnc(C)nc1N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1
InChIInChI=1S/C22H34N4O2/c1-3-5-18-14-23-17(2)24-21(18)25-11-9-22(10-12-25)8-7-20(27)26(16-22)15-19-6-4-13-28-19/h14,19H,3-13,15-16H2,1-2H3/t19-/m0/s1
InChIKeyOVRNEHGQQGZQBC-IBGZPJMESA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70707165
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-(2-Hydroxypropyl)-9-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773275
2-Cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70786979
9-(5-Fluoro-2-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72851568
[(1S,5R,6S)-3-(5-ethylpyrimidin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octan-6-yl]-morpholin-4-ylmethanone
CID 155549657
9-(2-Amino-4-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847167
9-(5-Ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70722334
9-[(2-Ethylpyrimidin-5-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70723909
9-[(2-Isopropylpyrimidin-5-YL)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70727185
9-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765931

Frequently Asked Questions

What is the IUPAC name of 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97139211) is 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCCc1cnc(C)nc1N1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1.
What is the InChIKey of 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OVRNEHGQQGZQBC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N4O2/c1-3-5-18-14-23-17(2)24-21(18)25-11-9-22(10-12-25)8-7-20(27)26(16-22)15-19-6-4-13-28-19/h14,19H,3-13,15-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 386.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methyl-5-propylpyrimidin-4-yl)-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97139211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).