6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine

C22H22N6O2 — CID 69381081

IUPAC6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine
SMILESCOc1cccc(-c2cnc3nc(N)nc(NC(C)c4ccccc4)c3n2)c1OC
InChIInChI=1S/C22H22N6O2/c1-13(14-8-5-4-6-9-14)25-21-18-20(27-22(23)28-21)24-12-16(26-18)15-10-7-11-17(29-2)19(15)30-3/h4-13H,1-3H3,(H3,23,24,25,27,28)
InChIKeyPVTXVLOUZAKEMF-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.86
Rot. Bonds6

About 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine

6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine (PubChem CID 69381081) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine
PubChem CID69381081
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine
SMILESCOc1cccc(-c2cnc3nc(N)nc(NC(C)c4ccccc4)c3n2)c1OC
InChIInChI=1S/C22H22N6O2/c1-13(14-8-5-4-6-9-14)25-21-18-20(27-22(23)28-21)24-12-16(26-18)15-10-7-11-17(29-2)19(15)30-3/h4-13H,1-3H3,(H3,23,24,25,27,28)
InChIKeyPVTXVLOUZAKEMF-UHFFFAOYSA-N
XLogP3.86
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine (CID 69381081) is 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine is COc1cccc(-c2cnc3nc(N)nc(NC(C)c4ccccc4)c3n2)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine?
The InChIKey is PVTXVLOUZAKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-13(14-8-5-4-6-9-14)25-21-18-20(27-22(23)28-21)24-12-16(26-18)15-10-7-11-17(29-2)19(15)30-3/h4-13H,1-3H3,(H3,23,24,25,27,28).
What are the key properties of 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine?
6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine has a molecular weight of 402.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-4-N-(1-phenylethyl)pteridine-2,4-diamine is sourced from PubChem (CID 69381081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).