2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid

C15H17N3O3 — CID 70896122

IUPAC2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCc2ccc(O)cc2)nc(C)c1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-9-13(14(20)21)10(2)18-15(17-9)16-8-7-11-3-5-12(19)6-4-11/h3-6,19H,7-8H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyXLUZSSSQRFVSDN-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid

2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 70896122) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID70896122
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCc2ccc(O)cc2)nc(C)c1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-9-13(14(20)21)10(2)18-15(17-9)16-8-7-11-3-5-12(19)6-4-11/h3-6,19H,7-8H2,1-2H3,(H,20,21)(H,16,17,18)
InChIKeyXLUZSSSQRFVSDN-UHFFFAOYSA-N
XLogP2.15
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11181674
4-[2-[[4-anilino-6-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11445284
2-[2-[2-(4-hydroxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 84761863
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80776333
4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 134088617
4-[2-[[4-[(4-chlorophenyl)methylamino]-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 134088652
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
N-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79880788
4-[2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80898444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid (CID 70896122) is 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(NCCc2ccc(O)cc2)nc(C)c1C(=O)O.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is XLUZSSSQRFVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-13(14(20)21)10(2)18-15(17-9)16-8-7-11-3-5-12(19)6-4-11/h3-6,19H,7-8H2,1-2H3,(H,20,21)(H,16,17,18).
What are the key properties of 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid?
2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 70896122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).