2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine

C14H23N7 — CID 114785144

IUPAC2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)CC2CCN(C)CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-15-14-18-12-11(16-9-17-12)13(19-14)21(3)8-10-4-6-20(2)7-5-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyCYPZRGPHGRAHRI-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.17
Rot. Bonds4

About 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine

2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 114785144) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
PubChem CID114785144
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)CC2CCN(C)CC2)c2[nH]cnc2n1
InChIInChI=1S/C14H23N7/c1-15-14-18-12-11(16-9-17-12)13(19-14)21(3)8-10-4-6-20(2)7-5-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyCYPZRGPHGRAHRI-UHFFFAOYSA-N
XLogP1.17
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
CID 114785237
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
2-N-methyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784024
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
CID 107207561
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
CID 114785912
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine (CID 114785144) is 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine is CNc1nc(N(C)CC2CCN(C)CC2)c2[nH]cnc2n1.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is CYPZRGPHGRAHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-15-14-18-12-11(16-9-17-12)13(19-14)21(3)8-10-4-6-20(2)7-5-10/h9-10H,4-8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine?
2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 114785144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).