(Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine

C20H28N8 — CID 144626929

IUPAC(Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine
SMILESCCCN1CCC(/C=N\c2ncnc3c2nc(-c2cnn(CC)c2C)n3C)C1
InChIInChI=1S/C20H28N8/c1-5-8-27-9-7-15(12-27)10-21-18-17-20(23-13-22-18)26(4)19(25-17)16-11-24-28(6-2)14(16)3/h10-11,13,15H,5-9,12H2,1-4H3/b21-10-
InChIKeyGEBDDHHWVWEOQV-FBHDLOMBSA-N
MW380.50 g/mol
LogP2.99
Rot. Bonds6

About (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine

(Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine (PubChem CID 144626929) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine
PubChem CID144626929
Molecular FormulaC20H28N8
Molecular Weight380.50 g/mol
Exact Mass380.24
IUPAC Name(Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine
SMILESCCCN1CCC(/C=N\c2ncnc3c2nc(-c2cnn(CC)c2C)n3C)C1
InChIInChI=1S/C20H28N8/c1-5-8-27-9-7-15(12-27)10-21-18-17-20(23-13-22-18)26(4)19(25-17)16-11-24-28(6-2)14(16)3/h10-11,13,15H,5-9,12H2,1-4H3/b21-10-
InChIKeyGEBDDHHWVWEOQV-FBHDLOMBSA-N
XLogP2.99
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-Ethyl-5-Methyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-C]pyrimidine
CID 72705844
cyclopropyl-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]methanone
CID 90168602
1-[(3S)-3-[[9-ethyl-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168822
1-[3-[[8-(1-Ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]azetidin-1-yl]propan-1-one
CID 74763795
4-[[8-(1-Ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]-1-(2-methylpropyl)pyrrolidin-2-one
CID 90158408
8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]purin-6-amine
CID 90168751
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168772
1-[(3S)-3-[[9-cyclopropyl-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168821
1-[(3S)-3-[[9-(cyclopropylmethyl)-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168840
1-[(3S)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-propylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168847
1-[(3S)-3-[[9-(2,2-difluoroethyl)-8-(1-ethyl-5-methylpyrazol-4-yl)purin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168853
1-[(3R)-3-[[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168935

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine?
The IUPAC name of (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine (CID 144626929) is (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine.
What is the SMILES notation for (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine?
The canonical SMILES for (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine is CCCN1CCC(/C=N\c2ncnc3c2nc(-c2cnn(CC)c2C)n3C)C1.
What is the InChIKey of (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine?
The InChIKey is GEBDDHHWVWEOQV-FBHDLOMBSA-N. The full InChI is InChI=1S/C20H28N8/c1-5-8-27-9-7-15(12-27)10-21-18-17-20(23-13-22-18)26(4)19(25-17)16-11-24-28(6-2)14(16)3/h10-11,13,15H,5-9,12H2,1-4H3/b21-10-.
What are the key properties of (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine?
(Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine has a molecular weight of 380.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[8-(1-ethyl-5-methylpyrazol-4-yl)-9-methylpurin-6-yl]-1-(1-propylpyrrolidin-3-yl)methanimine is sourced from PubChem (CID 144626929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).