6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine

C18H24N8O — CID 3025515

IUPAC6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine
SMILESCCN(CC)CCOc1ccc(-c2nc3c(N)nc(N)nc3nc2N)cc1
InChIInChI=1S/C18H24N8O/c1-3-26(4-2)9-10-27-12-7-5-11(6-8-12)13-15(19)23-17-14(22-13)16(20)24-18(21)25-17/h5-8H,3-4,9-10H2,1-2H3,(H6,19,20,21,23,24,25)
InChIKeyWYZBXZZUBRYGRC-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.55
Rot. Bonds7

About 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine

6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine (PubChem CID 3025515) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine.

Molecular Properties

Compound Name6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine
PubChem CID3025515
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine
SMILESCCN(CC)CCOc1ccc(-c2nc3c(N)nc(N)nc3nc2N)cc1
InChIInChI=1S/C18H24N8O/c1-3-26(4-2)9-10-27-12-7-5-11(6-8-12)13-15(19)23-17-14(22-13)16(20)24-18(21)25-17/h5-8H,3-4,9-10H2,1-2H3,(H6,19,20,21,23,24,25)
InChIKeyWYZBXZZUBRYGRC-UHFFFAOYSA-N
XLogP1.55
TPSA142.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine?
The IUPAC name of 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine (CID 3025515) is 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine.
What is the SMILES notation for 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine?
The canonical SMILES for 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine is CCN(CC)CCOc1ccc(-c2nc3c(N)nc(N)nc3nc2N)cc1.
What is the InChIKey of 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine?
The InChIKey is WYZBXZZUBRYGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-3-26(4-2)9-10-27-12-7-5-11(6-8-12)13-15(19)23-17-14(22-13)16(20)24-18(21)25-17/h5-8H,3-4,9-10H2,1-2H3,(H6,19,20,21,23,24,25).
What are the key properties of 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine?
6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine has a molecular weight of 368.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine is sourced from PubChem (CID 3025515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).