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

C14H24N6O — CID 114784714

IUPAC6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(CC)C(C)COC)c2[nH]cnc2n1
InChIInChI=1S/C14H24N6O/c1-5-7-15-14-18-12-11(16-9-17-12)13(19-14)20(6-2)10(3)8-21-4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyPQNOVMZQBLDTHW-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.04
Rot. Bonds8

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

6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine (PubChem CID 114784714) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
PubChem CID114784714
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine
SMILESCCCNc1nc(N(CC)C(C)COC)c2[nH]cnc2n1
InChIInChI=1S/C14H24N6O/c1-5-7-15-14-18-12-11(16-9-17-12)13(19-14)20(6-2)10(3)8-21-4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyPQNOVMZQBLDTHW-UHFFFAOYSA-N
XLogP2.04
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(2-methylpropyl)-6-N-propan-2-yl-2-N-propyl-7H-purine-2,6-diamine
CID 114784631
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
6-propan-2-yloxy-N-propyl-7H-purin-2-amine
CID 114786891
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
6-ethoxy-2-N-ethyl-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80790033
1-[[2-(propylamino)-7H-purin-6-yl]amino]propan-2-ol
CID 114783868
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine (CID 114784714) is 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine is CCCNc1nc(N(CC)C(C)COC)c2[nH]cnc2n1.
What is the InChIKey of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine?
The InChIKey is PQNOVMZQBLDTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-5-7-15-14-18-12-11(16-9-17-12)13(19-14)20(6-2)10(3)8-21-4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine?
6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine has a molecular weight of 292.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-(1-methoxypropan-2-yl)-2-N-propyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114784714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).