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

C14H23N7 — CID 114784778

IUPAC2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC2CCCCN2C)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-3-15-14-19-12(11-13(20-14)18-9-17-11)16-8-10-6-4-5-7-21(10)2/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyVEQLACFCXLHKRL-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.68
Rot. Bonds5

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

2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114784778) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114784778
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCC2CCCCN2C)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-3-15-14-19-12(11-13(20-14)18-9-17-11)16-8-10-6-4-5-7-21(10)2/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyVEQLACFCXLHKRL-UHFFFAOYSA-N
XLogP1.68
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-[(1-methylpiperidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784776
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
N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
CID 114783570
2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
5-chloro-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975083
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
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-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-7H-purine-2,6-diamine
CID 114785175
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine (CID 114784778) is 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine is CCNc1nc(NCC2CCCCN2C)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is VEQLACFCXLHKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-3-15-14-19-12(11-13(20-14)18-9-17-11)16-8-10-6-4-5-7-21(10)2/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.68, 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-[(1-methylpiperidin-2-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114784778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).