6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine

C10H12N8 — CID 113434107

IUPAC6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine
SMILESCc1[nH]ncc1CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H12N8/c1-5-6(3-15-18-5)2-12-8-7-9(14-4-13-7)17-10(11)16-8/h3-4H,2H2,1H3,(H,15,18)(H4,11,12,13,14,16,17)
InChIKeyLEKGKQZGWXKRTO-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.58
Rot. Bonds3

About 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine

6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 113434107) has the molecular formula C10H12N8 and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine
PubChem CID113434107
Molecular FormulaC10H12N8
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine
SMILESCc1[nH]ncc1CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H12N8/c1-5-6(3-15-18-5)2-12-8-7-9(14-4-13-7)17-10(11)16-8/h3-4H,2H2,1H3,(H,15,18)(H4,11,12,13,14,16,17)
InChIKeyLEKGKQZGWXKRTO-UHFFFAOYSA-N
XLogP0.58
TPSA121.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974356
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784347
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine
CID 170075108
6-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purine-2,6-diamine
CID 86271803
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine (CID 113434107) is 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine is Cc1[nH]ncc1CNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is LEKGKQZGWXKRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8/c1-5-6(3-15-18-5)2-12-8-7-9(14-4-13-7)17-10(11)16-8/h3-4H,2H2,1H3,(H,15,18)(H4,11,12,13,14,16,17).
What are the key properties of 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine?
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 244.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 113434107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).