6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine

C13H20N6 — CID 114784058

IUPAC6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(C)CC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-3-6-14-13-17-11-10(15-8-16-11)12(18-13)19(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyIUXBCIVXKLKSJR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.02
Rot. Bonds6

About 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine

6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114784058) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114784058
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(C)CC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c1-3-6-14-13-17-11-10(15-8-16-11)12(18-13)19(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyIUXBCIVXKLKSJR-UHFFFAOYSA-N
XLogP2.02
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
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)methyl]-7H-purine-2,6-diamine
CID 114785144
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
CID 106207536
6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631
6-N-cyclopropyl-2-N-ethyl-6-N-methyl-7H-purine-2,6-diamine
CID 114783774
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
2-N-propyl-6-N-(thian-4-ylmethyl)-7H-purine-2,6-diamine
CID 114786418
6-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-N-propyl-7H-purine-2,6-diamine
CID 114785089
2-[[2-(ethylamino)-7H-purin-6-yl]-methylamino]-N-propylacetamide
CID 114784196
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784714

Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine (CID 114784058) is 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(N(C)CC2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is IUXBCIVXKLKSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-6-14-13-17-11-10(15-8-16-11)12(18-13)19(2)7-9-4-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine?
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114784058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).