4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

C14H16N6 — CID 20666587

IUPAC4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESCN(C)c1n[nH]c2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C14H16N6/c1-20(2)14-11-12(16-9-17-13(11)18-19-14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJZYFFDNBPGDIOG-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds4

About 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine

4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (PubChem CID 20666587) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
PubChem CID20666587
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
SMILESCN(C)c1n[nH]c2ncnc(NCc3ccccc3)c12
InChIInChI=1S/C14H16N6/c1-20(2)14-11-12(16-9-17-13(11)18-19-14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJZYFFDNBPGDIOG-UHFFFAOYSA-N
XLogP2.03
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-benzyl-4-N,4-N-dimethyl-5-nitrosopyrimidine-4,6-diamine
CID 24880508
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
N-benzyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155187420
3-N-[(4-nitrophenyl)methyl]-4-N-(2-phenylethyl)-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
CID 57187539
N-benzyl-6-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 3233864
4-N,4-N-dimethyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542727
N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 68604925
4-N-benzyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 130154555
4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19136416
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19136176
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The IUPAC name of 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine (CID 20666587) is 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine.
What is the SMILES notation for 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The canonical SMILES for 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is CN(C)c1n[nH]c2ncnc(NCc3ccccc3)c12.
What is the InChIKey of 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
The InChIKey is JZYFFDNBPGDIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20(2)14-11-12(16-9-17-13(11)18-19-14)15-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine?
4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-3-N,3-N-dimethyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine is sourced from PubChem (CID 20666587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).