2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid

C15H17N3O2 — CID 28799538

IUPAC2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cc(C(=O)O)nc(N)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)10-6-4-9(5-7-10)11-8-12(13(19)20)18-14(16)17-11/h4-8H,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyBGEKEFVXWVMFMK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.72
Rot. Bonds2

About 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid

2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 28799538) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
PubChem CID28799538
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cc(C(=O)O)nc(N)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-15(2,3)10-6-4-9(5-7-10)11-8-12(13(19)20)18-14(16)17-11/h4-8H,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyBGEKEFVXWVMFMK-UHFFFAOYSA-N
XLogP2.72
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 28799560
6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
CID 106878479
2-amino-6-(4-tert-butylphenyl)-4-chloropyridine-3-carboxylic acid
CID 155338252
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270
2-amino-6-(3-propan-2-yloxyphenyl)pyrimidine-4-carboxylic acid
CID 54850447
6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
CID 125488527
4-(4-tert-butylphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897034
2-(4-tert-butylphenyl)-6-(dimethylamino)pyrimidine-4-carboxylic acid
CID 82170137
2-amino-6-[3-(2-methoxyethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 54850290
CID 175798578
CID 175798578
2-amino-6-(4-methoxyphenyl)-N-methylpyrimidine-4-carboxamide
CID 54854055

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid (CID 28799538) is 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid is CC(C)(C)c1ccc(-c2cc(C(=O)O)nc(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is BGEKEFVXWVMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(2,3)10-6-4-9(5-7-10)11-8-12(13(19)20)18-14(16)17-11/h4-8H,1-3H3,(H,19,20)(H2,16,17,18).
What are the key properties of 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid?
2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 28799538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).