2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine

C11H14N8 — CID 114785632

IUPAC2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2cnn(C)c2)c2[nH]cnc2n1
InChIInChI=1S/C11H14N8/c1-3-12-11-17-9-8(13-6-14-9)10(18-11)16-7-4-15-19(2)5-7/h4-6H,3H2,1-2H3,(H3,12,13,14,16,17,18)
InChIKeyGLJOXTSOBPVRCY-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.26
Rot. Bonds4

About 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine (PubChem CID 114785632) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
PubChem CID114785632
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2cnn(C)c2)c2[nH]cnc2n1
InChIInChI=1S/C11H14N8/c1-3-12-11-17-9-8(13-6-14-9)10(18-11)16-7-4-15-19(2)5-7/h4-6H,3H2,1-2H3,(H3,12,13,14,16,17,18)
InChIKeyGLJOXTSOBPVRCY-UHFFFAOYSA-N
XLogP1.26
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
2-N-ethyl-6-N-(4-iodophenyl)-7H-purine-2,6-diamine
CID 114783435
6-(methylideneamino)-N-(1-methylpyrazol-4-yl)-7H-purin-2-amine
CID 129275714
2-N-ethyl-6-N-(3-iodophenyl)-7H-purine-2,6-diamine
CID 114783438
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 114785175
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114785499
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine (CID 114785632) is 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine is CCNc1nc(Nc2cnn(C)c2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The InChIKey is GLJOXTSOBPVRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-3-12-11-17-9-8(13-6-14-9)10(18-11)16-7-4-15-19(2)5-7/h4-6H,3H2,1-2H3,(H3,12,13,14,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine has a molecular weight of 258.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).