2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine

C14H23N7 — CID 114784296

IUPAC2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(NC(C)CN2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-10(8-21-6-4-3-5-7-21)18-13-11-12(17-9-16-11)19-14(15-2)20-13/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyLCZXGKMSXBGNQB-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.68
Rot. Bonds5

About 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine

2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine (PubChem CID 114784296) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
PubChem CID114784296
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
SMILESCNc1nc(NC(C)CN2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-10(8-21-6-4-3-5-7-21)18-13-11-12(17-9-16-11)19-14(15-2)20-13/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyLCZXGKMSXBGNQB-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

6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
CID 114785101
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purin-6-amine
CID 104697676
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80801538
2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
CID 114785912
3-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butanamide
CID 106347511
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114784241
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
CID 67967892

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine (CID 114784296) is 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine is CNc1nc(NC(C)CN2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine?
The InChIKey is LCZXGKMSXBGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-10(8-21-6-4-3-5-7-21)18-13-11-12(17-9-16-11)19-14(15-2)20-13/h9-10H,3-8H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine?
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-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-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114784296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).