4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid

C16H19N3O3 — CID 155338271

IUPAC4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2O)nc(N)c1C(=O)O
InChIInChI=1S/C16H19N3O3/c1-8-12(15(21)22)13(17)19-14(18-8)10-6-5-9(7-11(10)20)16(2,3)4/h5-7,20H,1-4H3,(H,21,22)(H2,17,18,19)
InChIKeyFVPUEULBTWHJDL-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.74
Rot. Bonds2

About 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid

4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 155338271) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID155338271
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2O)nc(N)c1C(=O)O
InChIInChI=1S/C16H19N3O3/c1-8-12(15(21)22)13(17)19-14(18-8)10-6-5-9(7-11(10)20)16(2,3)4/h5-7,20H,1-4H3,(H,21,22)(H2,17,18,19)
InChIKeyFVPUEULBTWHJDL-UHFFFAOYSA-N
XLogP2.74
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid (CID 155338271) is 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid is Cc1nc(-c2ccc(C(C)(C)C)cc2O)nc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is FVPUEULBTWHJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-8-12(15(21)22)13(17)19-14(18-8)10-6-5-9(7-11(10)20)16(2,3)4/h5-7,20H,1-4H3,(H,21,22)(H2,17,18,19).
What are the key properties of 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid?
4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-tert-butyl-2-hydroxyphenyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 155338271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).