6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine

C15H22N6 — CID 114785499

IUPAC6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(C2CC2)C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H22N6/c1-2-16-15-20-13(12-14(21-15)19-8-18-12)17-7-11(9-3-4-9)10-5-6-10/h8-11H,2-7H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyMVCXLXFCXJVUKB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.63
Rot. Bonds7

About 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine

6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 114785499) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID114785499
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC(C2CC2)C2CC2)c2[nH]cnc2n1
InChIInChI=1S/C15H22N6/c1-2-16-15-20-13(12-14(21-15)19-8-18-12)17-7-11(9-3-4-9)10-5-6-10/h8-11H,2-7H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyMVCXLXFCXJVUKB-UHFFFAOYSA-N
XLogP2.63
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine with MolForge

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Related Compounds

2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
2-N-ethyl-6-N-(2-methyl-3-methylsulfanylpropyl)-7H-purine-2,6-diamine
CID 114785289
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
2-N-ethyl-6-N-[(1-methylpiperidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784776
2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784778
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
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine (CID 114785499) is 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine is CCNc1nc(NCC(C2CC2)C2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is MVCXLXFCXJVUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-2-16-15-20-13(12-14(21-15)19-8-18-12)17-7-11(9-3-4-9)10-5-6-10/h8-11H,2-7H2,1H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine?
6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dicyclopropylethyl)-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114785499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).