6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine

C17H19N5O2 — CID 11404593

IUPAC6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1C
InChIInChI=1S/C17H19N5O2/c1-9(2)24-16-14-15(21-17(18)22-16)19-8-12(20-14)11-5-6-13(23-4)10(3)7-11/h5-9H,1-4H3,(H2,18,19,21,22)
InChIKeyXBWVXBHOIMTBMQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.77
Rot. Bonds4

About 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine

6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine (PubChem CID 11404593) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
PubChem CID11404593
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCOc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1C
InChIInChI=1S/C17H19N5O2/c1-9(2)24-16-14-15(21-17(18)22-16)19-8-12(20-14)11-5-6-13(23-4)10(3)7-11/h5-9H,1-4H3,(H2,18,19,21,22)
InChIKeyXBWVXBHOIMTBMQ-UHFFFAOYSA-N
XLogP2.77
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,4-difluorophenyl)-4-propan-2-yloxypteridin-2-amine
CID 11232353
4-methoxy-6-(4-methylphenyl)pteridin-2-amine
CID 141068601
4-ethoxy-6-(4-propan-2-yloxyphenyl)pteridin-2-amine
CID 68779202
6-(3,4-dimethylphenyl)-4-propan-2-yloxypyrido[2,3-d]pyrimidin-2-amine
CID 11996838
4-butoxy-6-(4-fluorophenyl)pteridin-2-amine;6-(4-fluorophenyl)-4-(2-methoxyethoxy)pteridin-2-amine;6-(4-fluorophenyl)-4-propan-2-yloxypteridin-2-amine
CID 87729687
4-N-[(2S)-butan-2-yl]-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine
CID 11164068
4-ethoxy-6-(3,4,5-trimethoxyphenyl)pteridin-2-amine
CID 68777622
4-ethoxy-6-(5-fluoro-2-methoxyphenyl)pteridin-2-amine
CID 68776540
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
bis(4-N,4-N-dibenzyl-6-(3,4-dimethoxyphenyl)pteridine-2,4-diamine);hydrate
CID 87999021
5-(3,4-dimethylphenyl)-3-methoxypyrazin-2-amine
CID 178183758
2-(4-methoxy-3-methylphenyl)imidazo[1,5-b]pyridazin-5-amine
CID 82381285

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine (CID 11404593) is 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine is COc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine?
The InChIKey is XBWVXBHOIMTBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-9(2)24-16-14-15(21-17(18)22-16)19-8-12(20-14)11-5-6-13(23-4)10(3)7-11/h5-9H,1-4H3,(H2,18,19,21,22).
What are the key properties of 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine?
6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)-4-propan-2-yloxypteridin-2-amine is sourced from PubChem (CID 11404593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).