2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine

C10H12N8 — CID 167947742

IUPAC2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
SMILESCn1ccc(CNc2nc(N)c3[nH]cnc3n2)n1
InChIInChI=1S/C10H12N8/c1-18-3-2-6(17-18)4-12-10-15-8(11)7-9(16-10)14-5-13-7/h2-3,5H,4H2,1H3,(H4,11,12,13,14,15,16)
InChIKeyDRZWKKPALDVDGN-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.28
Rot. Bonds3

About 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine

2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 167947742) has the molecular formula C10H12N8 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
PubChem CID167947742
Molecular FormulaC10H12N8
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
SMILESCn1ccc(CNc2nc(N)c3[nH]cnc3n2)n1
InChIInChI=1S/C10H12N8/c1-18-3-2-6(17-18)4-12-10-15-8(11)7-9(16-10)14-5-13-7/h2-3,5H,4H2,1H3,(H4,11,12,13,14,15,16)
InChIKeyDRZWKKPALDVDGN-UHFFFAOYSA-N
XLogP0.28
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 82874162
2-N-[2-(4-fluorophenyl)ethyl]-7H-purine-2,6-diamine
CID 121390717
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
CID 104925117
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
2-N-[3-(dimethylamino)phenyl]-7H-purine-2,6-diamine
CID 117084265
2-tert-butyl-7H-purin-6-amine
CID 21493394
2-amino-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82882628
2-N-(3-methoxyphenyl)-7H-purine-2,6-diamine
CID 69033546
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 82875453
N-[(1-methylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103818834

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine (CID 167947742) is 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine is Cn1ccc(CNc2nc(N)c3[nH]cnc3n2)n1.
What is the InChIKey of 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is DRZWKKPALDVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8/c1-18-3-2-6(17-18)4-12-10-15-8(11)7-9(16-10)14-5-13-7/h2-3,5H,4H2,1H3,(H4,11,12,13,14,15,16).
What are the key properties of 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine?
2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 244.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 167947742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).