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

C14H16N6 — CID 39830512

IUPAC4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(CNc2nc(N)nc3[nH]ncc23)c1
InChIInChI=1S/C14H16N6/c1-8-3-4-9(2)10(5-8)6-16-12-11-7-17-20-13(11)19-14(15)18-12/h3-5,7H,6H2,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyLRLDPHRDDDKZJV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds3

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

4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 39830512) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID39830512
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(C)c(CNc2nc(N)nc3[nH]ncc23)c1
InChIInChI=1S/C14H16N6/c1-8-3-4-9(2)10(5-8)6-16-12-11-7-17-20-13(11)19-14(15)18-12/h3-5,7H,6H2,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyLRLDPHRDDDKZJV-UHFFFAOYSA-N
XLogP2.16
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39804562
4-N-[(3-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39782188
4-N-[(2,3-dichlorophenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39826609
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
4-(2,2-dimethylhydrazinyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 83026942
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107171739
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
N-[(2-bromo-5-fluorophenyl)methyl]-6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 106193592
6-methyl-N-[(3-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 123712639
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 39830512) is 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is Cc1ccc(C)c(CNc2nc(N)nc3[nH]ncc23)c1.
What is the InChIKey of 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is LRLDPHRDDDKZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-8-3-4-9(2)10(5-8)6-16-12-11-7-17-20-13(11)19-14(15)18-12/h3-5,7H,6H2,1-2H3,(H4,15,16,17,18,19,20).
What are the key properties of 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 39830512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).