2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol

C18H17N3O2 — CID 135960809

IUPAC2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1C
InChIInChI=1S/C18H17N3O2/c1-11-9-12(7-8-16(11)23-2)14-10-20-18(19)21-17(14)13-5-3-4-6-15(13)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyOCPLTHUVBCNDLA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.42
Rot. Bonds3

About 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol

2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol (PubChem CID 135960809) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol
PubChem CID135960809
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1C
InChIInChI=1S/C18H17N3O2/c1-11-9-12(7-8-16(11)23-2)14-10-20-18(19)21-17(14)13-5-3-4-6-15(13)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyOCPLTHUVBCNDLA-UHFFFAOYSA-N
XLogP3.42
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol (CID 135960809) is 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol is COc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1C.
What is the InChIKey of 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol?
The InChIKey is OCPLTHUVBCNDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-9-12(7-8-16(11)23-2)14-10-20-18(19)21-17(14)13-5-3-4-6-15(13)22/h3-10,22H,1-2H3,(H2,19,20,21).
What are the key properties of 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol?
2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol has a molecular weight of 307.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).