4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile

C19H25N5O2 — CID 167790812

IUPAC4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile
SMILESCc1cnc(C#N)nc1N1CCC2(CCCN(C(=O)C3(O)CC3)C2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-12-21-15(11-20)22-16(14)23-9-6-18(7-10-23)3-2-8-24(13-18)17(25)19(26)4-5-19/h12,26H,2-10,13H2,1H3
InChIKeyJKDMXCJDDRUAAR-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.39
Rot. Bonds2

About 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile

4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile (PubChem CID 167790812) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile
PubChem CID167790812
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile
SMILESCc1cnc(C#N)nc1N1CCC2(CCCN(C(=O)C3(O)CC3)C2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-12-21-15(11-20)22-16(14)23-9-6-18(7-10-23)3-2-8-24(13-18)17(25)19(26)4-5-19/h12,26H,2-10,13H2,1H3
InChIKeyJKDMXCJDDRUAAR-UHFFFAOYSA-N
XLogP1.39
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107405881
5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
CID 170207571
5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
CID 133491304
[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97450106
2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 133349392
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
3-methylsulfonyl-1-(9-pyrimidin-5-yl-2,9-diazaspiro[5.5]undecan-2-yl)propan-1-one
CID 131696704
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
1-[(5R)-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97415473
8-[[2-cyano-7-(2-cyclohexylethyl)pyrrolo[2,3-d]pyrimidin-6-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 154117702
1-(5-azaspiro[2.5]octan-5-yl)butan-1-one
CID 130890888

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile?
The IUPAC name of 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile (CID 167790812) is 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile is Cc1cnc(C#N)nc1N1CCC2(CCCN(C(=O)C3(O)CC3)C2)CC1.
What is the InChIKey of 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile?
The InChIKey is JKDMXCJDDRUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-12-21-15(11-20)22-16(14)23-9-6-18(7-10-23)3-2-8-24(13-18)17(25)19(26)4-5-19/h12,26H,2-10,13H2,1H3.
What are the key properties of 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile?
4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxycyclopropanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-5-methylpyrimidine-2-carbonitrile is sourced from PubChem (CID 167790812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).