2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine

C12H20N6O — CID 114785349

IUPAC2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NC(CC)COC)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6O/c1-4-8(6-19-3)16-11-9-10(15-7-14-9)17-12(18-11)13-5-2/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyLIPHJNDFVMIMLF-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.62
Rot. Bonds7

About 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine (PubChem CID 114785349) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
PubChem CID114785349
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NC(CC)COC)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6O/c1-4-8(6-19-3)16-11-9-10(15-7-14-9)17-12(18-11)13-5-2/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17,18)
InChIKeyLIPHJNDFVMIMLF-UHFFFAOYSA-N
XLogP1.62
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114785590
(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114986392
N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
CID 114788267
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
CID 80836524
3-[(2-chloro-7H-purin-6-yl)amino]-4-methoxybutan-1-ol
CID 114152161

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine (CID 114785349) is 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine is CCNc1nc(NC(CC)COC)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine?
The InChIKey is LIPHJNDFVMIMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-4-8(6-19-3)16-11-9-10(15-7-14-9)17-12(18-11)13-5-2/h7-8H,4-6H2,1-3H3,(H3,13,14,15,16,17,18).
What are the key properties of 2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 1.62, 7 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-methoxybutan-2-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).