5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol

C22H25N5O — CID 142556823

IUPAC5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol
SMILES[H]/N=C\c1ccc(C2CC23CC3)cc1Nc1cc(N2CC(O)C3(CC3)C2)ncn1
InChIInChI=1S/C22H25N5O/c23-10-15-2-1-14(16-9-21(16)3-4-21)7-17(15)26-19-8-20(25-13-24-19)27-11-18(28)22(12-27)5-6-22/h1-2,7-8,10,13,16,18,23,28H,3-6,9,11-12H2,(H,24,25,26)/b23-10-
InChIKeyNKLPPYJFOANHBN-RMORIDSASA-N
MW375.48 g/mol
LogP3.45
Rot. Bonds5

About 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol

5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol (PubChem CID 142556823) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol
PubChem CID142556823
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol
SMILES[H]/N=C\c1ccc(C2CC23CC3)cc1Nc1cc(N2CC(O)C3(CC3)C2)ncn1
InChIInChI=1S/C22H25N5O/c23-10-15-2-1-14(16-9-21(16)3-4-21)7-17(15)26-19-8-20(25-13-24-19)27-11-18(28)22(12-27)5-6-22/h1-2,7-8,10,13,16,18,23,28H,3-6,9,11-12H2,(H,24,25,26)/b23-10-
InChIKeyNKLPPYJFOANHBN-RMORIDSASA-N
XLogP3.45
TPSA85.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol
CID 174046983
N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)phenyl]-6-(4-methylsulfinylpiperazin-1-yl)pyrimidin-4-amine
CID 166841977
N-(5-cyclobutyl-2-methanimidoylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 138550142
5-[4-methanimidoyl-3-[[6-[3-methyl-4-(oxolan-3-yl)piperazin-1-yl]pyrimidin-4-yl]amino]phenyl]spiro[2.3]hexane-5-carbonitrile
CID 138550731
N-[5-[(2S)-2-aminospiro[2.2]pentan-2-yl]-4-fluoro-2-methanimidoylphenyl]-6-(4-tert-butyl-2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-amine
CID 142556885
N-(2-methanimidoyl-5-piperidin-4-ylphenyl)-6-(3-propoxypropyl)pyrimidin-4-amine
CID 145234145
1-(6-methanimidoylpyrimidin-4-yl)pyrrolidin-3-ol
CID 123698785
8-[3-[[2-[1-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-pyridinyl]amino]-4-methanimidoylphenoxy]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 164587163
N-(2-chlorophenyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112864713
1-[5-[[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidin-4-ol
CID 155469076
N-[5-[(1S,2S)-2-(6-chloroimidazo[1,2-b]pyridazin-8-yl)cyclopropyl]-2-methanimidoylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 157034442
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol (CID 142556823) is 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol is [H]/N=C\c1ccc(C2CC23CC3)cc1Nc1cc(N2CC(O)C3(CC3)C2)ncn1.
What is the InChIKey of 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is NKLPPYJFOANHBN-RMORIDSASA-N. The full InChI is InChI=1S/C22H25N5O/c23-10-15-2-1-14(16-9-21(16)3-4-21)7-17(15)26-19-8-20(25-13-24-19)27-11-18(28)22(12-27)5-6-22/h1-2,7-8,10,13,16,18,23,28H,3-6,9,11-12H2,(H,24,25,26)/b23-10-.
What are the key properties of 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol?
5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 375.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 142556823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).