4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C13H14N6 — CID 39804562

IUPAC4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C13H14N6/c1-8-4-2-3-5-9(8)6-15-11-10-7-16-19-12(10)18-13(14)17-11/h2-5,7H,6H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyYBASVYGGZJZYGP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.86
Rot. Bonds3

About 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 39804562) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID39804562
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1ccccc1CNc1nc(N)nc2[nH]ncc12
InChIInChI=1S/C13H14N6/c1-8-4-2-3-5-9(8)6-15-11-10-7-16-19-12(10)18-13(14)17-11/h2-5,7H,6H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyYBASVYGGZJZYGP-UHFFFAOYSA-N
XLogP1.86
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39830512
4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39826609
4-N-[(3-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39782188
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
CID 19988693
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842
5-bromo-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80898973
4-(2,2-dimethylhydrazinyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83026942
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
3-[2-[(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117480
4-N-(3-methylsulfinylbutyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 113490930
5-fluoro-2-hydrazinyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899165

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 39804562) is 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Cc1ccccc1CNc1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is YBASVYGGZJZYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8-4-2-3-5-9(8)6-15-11-10-7-16-19-12(10)18-13(14)17-11/h2-5,7H,6H2,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 39804562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).