2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol

C24H31N5O — CID 174046983

IUPAC2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol
SMILES[H]/N=C/c1ccc([C@@H]2CC23CC3)cc1Nc1cc(N2CC(C)C(C(C)(C)O)C2)ncn1
InChIInChI=1S/C24H31N5O/c1-15-12-29(13-19(15)23(2,3)30)22-9-21(26-14-27-22)28-20-8-16(4-5-17(20)11-25)18-10-24(18)6-7-24/h4-5,8-9,11,14-15,18-19,25,30H,6-7,10,12-13H2,1-3H3,(H,26,27,28)/b25-11+/t15?,18-,19?/m0/s1
InChIKeyIDMHCZUVIMCESS-ZQGMNJLHSA-N
MW405.55 g/mol
LogP4.33
Rot. Bonds6

About 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol

2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol (PubChem CID 174046983) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol
PubChem CID174046983
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol
SMILES[H]/N=C/c1ccc([C@@H]2CC23CC3)cc1Nc1cc(N2CC(C)C(C(C)(C)O)C2)ncn1
InChIInChI=1S/C24H31N5O/c1-15-12-29(13-19(15)23(2,3)30)22-9-21(26-14-27-22)28-20-8-16(4-5-17(20)11-25)18-10-24(18)6-7-24/h4-5,8-9,11,14-15,18-19,25,30H,6-7,10,12-13H2,1-3H3,(H,26,27,28)/b25-11+/t15?,18-,19?/m0/s1
InChIKeyIDMHCZUVIMCESS-ZQGMNJLHSA-N
XLogP4.33
TPSA85.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(2-methanimidoyl-5-spiro[2.2]pentan-2-ylanilino)pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-ol
CID 142556823
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-[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
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
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
N-(2-methanimidoyl-5-piperidin-4-ylphenyl)-6-(3-propoxypropyl)pyrimidin-4-amine
CID 145234145
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
4-methyl-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 102971029
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
N-[2-[(2R)-2,4-dimethylpiperazin-1-yl]-5-[[6-[4-methanimidoyl-3-(methylamino)phenyl]pyrimidin-4-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 146561117

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 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) is 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol is [H]/N=C/c1ccc([C@@H]2CC23CC3)cc1Nc1cc(N2CC(C)C(C(C)(C)O)C2)ncn1.
What is the InChIKey of 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol?
The InChIKey is IDMHCZUVIMCESS-ZQGMNJLHSA-N. The full InChI is InChI=1S/C24H31N5O/c1-15-12-29(13-19(15)23(2,3)30)22-9-21(26-14-27-22)28-20-8-16(4-5-17(20)11-25)18-10-24(18)6-7-24/h4-5,8-9,11,14-15,18-19,25,30H,6-7,10,12-13H2,1-3H3,(H,26,27,28)/b25-11+/t15?,18-,19?/m0/s1.
What are the key properties of 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol?
2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol has a molecular weight of 405.55 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[2-methanimidoyl-5-[(2R)-spiro[2.2]pentan-2-yl]anilino]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 174046983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).