N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C19H24N6 — CID 133285646

IUPACN'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(CCNc1ncnc2c1cnn2-c1ccccc1)C1CCCC1
InChIInChI=1S/C19H24N6/c1-24(15-7-5-6-8-15)12-11-20-18-17-13-23-25(19(17)22-14-21-18)16-9-3-2-4-10-16/h2-4,9-10,13-15H,5-8,11-12H2,1H3,(H,20,21,22)
InChIKeyPWOSSZBJLSBSEE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.10
Rot. Bonds6

About N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 133285646) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID133285646
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(CCNc1ncnc2c1cnn2-c1ccccc1)C1CCCC1
InChIInChI=1S/C19H24N6/c1-24(15-7-5-6-8-15)12-11-20-18-17-13-23-25(19(17)22-14-21-18)16-9-3-2-4-10-16/h2-4,9-10,13-15H,5-8,11-12H2,1H3,(H,20,21,22)
InChIKeyPWOSSZBJLSBSEE-UHFFFAOYSA-N
XLogP3.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 78878674
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133312334
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057
N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43235572
1-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 4684625
N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8549579
N',N'-dimethyl-N-[5-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]ethane-1,2-diamine
CID 72636240
N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2653467

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 133285646) is N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is CN(CCNc1ncnc2c1cnn2-c1ccccc1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is PWOSSZBJLSBSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-24(15-7-5-6-8-15)12-11-20-18-17-13-23-25(19(17)22-14-21-18)16-9-3-2-4-10-16/h2-4,9-10,13-15H,5-8,11-12H2,1H3,(H,20,21,22).
What are the key properties of N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 336.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 133285646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).