6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate

C19H23N7O2 — CID 140800648

IUPAC6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate
SMILESCCc1ccnc2ccc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc12.O.O
InChIInChI=1S/C19H19N7.2H2O/c1-2-11-7-8-20-15-6-5-13(9-14(11)15)24-19-25-17-16(21-10-22-17)18(26-19)23-12-3-4-12;;/h5-10,12H,2-4H2,1H3,(H3,21,22,23,24,25,26);2*1H2
InChIKeyHOFHQJDPANHKHI-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.13
Rot. Bonds5

About 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate

6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate (PubChem CID 140800648) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate
PubChem CID140800648
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate
SMILESCCc1ccnc2ccc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc12.O.O
InChIInChI=1S/C19H19N7.2H2O/c1-2-11-7-8-20-15-6-5-13(9-14(11)15)24-19-25-17-16(21-10-22-17)18(26-19)23-12-3-4-12;;/h5-10,12H,2-4H2,1H3,(H3,21,22,23,24,25,26);2*1H2
InChIKeyHOFHQJDPANHKHI-UHFFFAOYSA-N
XLogP2.13
TPSA154.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate?
The IUPAC name of 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate (CID 140800648) is 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate.
What is the SMILES notation for 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate?
The canonical SMILES for 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate is CCc1ccnc2ccc(Nc3nc(NC4CC4)c4[nH]cnc4n3)cc12.O.O.
What is the InChIKey of 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate?
The InChIKey is HOFHQJDPANHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7.2H2O/c1-2-11-7-8-20-15-6-5-13(9-14(11)15)24-19-25-17-16(21-10-22-17)18(26-19)23-12-3-4-12;;/h5-10,12H,2-4H2,1H3,(H3,21,22,23,24,25,26);2*1H2.
What are the key properties of 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate?
6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate has a molecular weight of 381.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate is sourced from PubChem (CID 140800648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).