2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine

C14H17N7 — CID 114786623

IUPAC2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2ccncc2C)c2[nH]cnc2n1
InChIInChI=1S/C14H17N7/c1-3-16-14-20-12(11-13(21-14)19-8-18-11)17-7-10-4-5-15-6-9(10)2/h4-6,8H,3,7H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyTVLTTXDEYCGIGJ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.10
Rot. Bonds5

About 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine

2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine (PubChem CID 114786623) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine
PubChem CID114786623
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCc2ccncc2C)c2[nH]cnc2n1
InChIInChI=1S/C14H17N7/c1-3-16-14-20-12(11-13(21-14)19-8-18-11)17-7-10-4-5-15-6-9(10)2/h4-6,8H,3,7H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyTVLTTXDEYCGIGJ-UHFFFAOYSA-N
XLogP2.10
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-[(2-methylpyrimidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114784815
2-N-ethyl-6-N-[(5-methylpyrazin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785046
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 114785175
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
2-N-ethyl-6-N-(thiophen-3-ylmethyl)-7H-purine-2,6-diamine
CID 114785152
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-(4-iodophenyl)-7H-purine-2,6-diamine
CID 114783435
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine (CID 114786623) is 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine is CCNc1nc(NCc2ccncc2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine?
The InChIKey is TVLTTXDEYCGIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-3-16-14-20-12(11-13(21-14)19-8-18-11)17-7-10-4-5-15-6-9(10)2/h4-6,8H,3,7H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine has a molecular weight of 283.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[(3-methyl-4-pyridinyl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114786623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).