N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

C15H18N6 — CID 42671783

IUPACN'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nc(NCCN)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H18N6/c1-10-13-14(17-9-8-16)18-11(2)19-15(13)21(20-10)12-6-4-3-5-7-12/h3-7H,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyOGVIEQYAHDFASW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.80
Rot. Bonds4

About N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 42671783) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID42671783
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCc1nc(NCCN)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H18N6/c1-10-13-14(17-9-8-16)18-11(2)19-15(13)21(20-10)12-6-4-3-5-7-12/h3-7H,8-9,16H2,1-2H3,(H,17,18,19)
InChIKeyOGVIEQYAHDFASW-UHFFFAOYSA-N
XLogP1.80
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[1-(3-chlorophenyl)-6-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 42671792
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 110171361
4-chloro-N-[2-[[3,6-dimethyl-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzamide
CID 42679070
6-ethyl-3-methyl-1-phenyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 42670648
N-[2-[[1-(3-chlorophenyl)-3,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methoxybenzamide
CID 42675604
4-chloro-N-[2-[(6-cyclopropyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 42677304
1-tert-butyl-3-[2-[(6-cyclopropyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]urea
CID 42677283
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
ethyl 4-(hydroxymethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743036

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 42671783) is N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is Cc1nc(NCCN)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is OGVIEQYAHDFASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-10-13-14(17-9-8-16)18-11(2)19-15(13)21(20-10)12-6-4-3-5-7-12/h3-7H,8-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 42671783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).