2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol

C18H17N3O3 — CID 138392409

IUPAC2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3O)nc(N)n2)c(OC)c1
InChIInChI=1S/C18H17N3O3/c1-23-11-7-8-13(17(9-11)24-2)15-10-14(20-18(19)21-15)12-5-3-4-6-16(12)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyPKYZIHREDNYUQC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.12
Rot. Bonds4

About 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol

2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 138392409) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID138392409
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3O)nc(N)n2)c(OC)c1
InChIInChI=1S/C18H17N3O3/c1-23-11-7-8-13(17(9-11)24-2)15-10-14(20-18(19)21-15)12-5-3-4-6-16(12)22/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyPKYZIHREDNYUQC-UHFFFAOYSA-N
XLogP3.12
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol (CID 138392409) is 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol is COc1ccc(-c2cc(-c3ccccc3O)nc(N)n2)c(OC)c1.
What is the InChIKey of 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is PKYZIHREDNYUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-11-7-8-13(17(9-11)24-2)15-10-14(20-18(19)21-15)12-5-3-4-6-16(12)22/h3-10,22H,1-2H3,(H2,19,20,21).
What are the key properties of 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol?
2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 323.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(2,4-dimethoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 138392409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).