3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol

C19H16N6O2 — CID 176623250

IUPAC3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol
SMILESNc1nc(N)c2nc(-c3cccc(O)c3)c(Cc3cccc(O)c3)nc2n1
InChIInChI=1S/C19H16N6O2/c20-17-16-18(25-19(21)24-17)22-14(8-10-3-1-5-12(26)7-10)15(23-16)11-4-2-6-13(27)9-11/h1-7,9,26-27H,8H2,(H4,20,21,22,24,25)
InChIKeyCKKVHCRNMDIMFV-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.25
Rot. Bonds3

About 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol

3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol (PubChem CID 176623250) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol
PubChem CID176623250
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol
SMILESNc1nc(N)c2nc(-c3cccc(O)c3)c(Cc3cccc(O)c3)nc2n1
InChIInChI=1S/C19H16N6O2/c20-17-16-18(25-19(21)24-17)22-14(8-10-3-1-5-12(26)7-10)15(23-16)11-4-2-6-13(27)9-11/h1-7,9,26-27H,8H2,(H4,20,21,22,24,25)
InChIKeyCKKVHCRNMDIMFV-UHFFFAOYSA-N
XLogP2.25
TPSA144.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;dihydrochloride
CID 18455700
3-[4-amino-7-(3-hydroxyphenyl)-2-(methylamino)pteridin-6-yl]phenol
CID 170275969
6-(3-bromophenyl)pteridine-2,4,7-triamine
CID 118987043
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;hydrobromide
CID 69016478
3-[4-amino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;methanesulfonic acid
CID 86594138
6-(3,4-dimethylphenyl)pteridine-2,4,7-triamine
CID 125484319
3-[[6-(3-aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]methyl]phenol
CID 135388755
3-[2,3-bis(3-aminophenyl)phenyl]phenol
CID 139931818
3-[(5-chloropyridazin-3-yl)methyl]phenol
CID 117106583
4-Hydroxy triamterene sulfate potassium salt
CID 169442251
3-(4-amino-5-bromo-6-ethylpyrimidin-2-yl)phenol
CID 66296362
3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946

Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol?
The IUPAC name of 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol (CID 176623250) is 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol.
What is the SMILES notation for 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol?
The canonical SMILES for 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol is Nc1nc(N)c2nc(-c3cccc(O)c3)c(Cc3cccc(O)c3)nc2n1.
What is the InChIKey of 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol?
The InChIKey is CKKVHCRNMDIMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-17-16-18(25-19(21)24-17)22-14(8-10-3-1-5-12(26)7-10)15(23-16)11-4-2-6-13(27)9-11/h1-7,9,26-27H,8H2,(H4,20,21,22,24,25).
What are the key properties of 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol?
3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol has a molecular weight of 360.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]methyl]phenol is sourced from PubChem (CID 176623250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).