2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol

C19H19N3O2 — CID 135960771

IUPAC2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol
SMILESCCCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C19H19N3O2/c1-2-11-24-14-9-7-13(8-10-14)16-12-21-19(20)22-18(16)15-5-3-4-6-17(15)23/h3-10,12,23H,2,11H2,1H3,(H2,20,21,22)
InChIKeyMUWSRCCTAYPEEZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.89
Rot. Bonds5

About 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol

2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol (PubChem CID 135960771) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol
PubChem CID135960771
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol
SMILESCCCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1
InChIInChI=1S/C19H19N3O2/c1-2-11-24-14-9-7-13(8-10-14)16-12-21-19(20)22-18(16)15-5-3-4-6-17(15)23/h3-10,12,23H,2,11H2,1H3,(H2,20,21,22)
InChIKeyMUWSRCCTAYPEEZ-UHFFFAOYSA-N
XLogP3.89
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.89
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-propoxyphenyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol (CID 135960771) is 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol is CCCOc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1.
What is the InChIKey of 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol?
The InChIKey is MUWSRCCTAYPEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-11-24-14-9-7-13(8-10-14)16-12-21-19(20)22-18(16)15-5-3-4-6-17(15)23/h3-10,12,23H,2,11H2,1H3,(H2,20,21,22).
What are the key properties of 2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol?
2-[2-amino-5-(4-propoxyphenyl)pyrimidin-4-yl]phenol has a molecular weight of 321.38 g/mol, XLogP of 3.89, 5 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-propoxyphenyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135960771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).