2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid

C15H17N3O2 — CID 77086183

IUPAC2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid
SMILESCc1cnc(-c2ccc(CC(=O)O)cc2)nc1N(C)C
InChIInChI=1S/C15H17N3O2/c1-10-9-16-14(17-15(10)18(2)3)12-6-4-11(5-7-12)8-13(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyQARILRVKIUYVBQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.15
Rot. Bonds4

About 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid

2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid (PubChem CID 77086183) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid
PubChem CID77086183
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid
SMILESCc1cnc(-c2ccc(CC(=O)O)cc2)nc1N(C)C
InChIInChI=1S/C15H17N3O2/c1-10-9-16-14(17-15(10)18(2)3)12-6-4-11(5-7-12)8-13(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKeyQARILRVKIUYVBQ-UHFFFAOYSA-N
XLogP2.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid (CID 77086183) is 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid is Cc1cnc(-c2ccc(CC(=O)O)cc2)nc1N(C)C.
What is the InChIKey of 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid?
The InChIKey is QARILRVKIUYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-9-16-14(17-15(10)18(2)3)12-6-4-11(5-7-12)8-13(19)20/h4-7,9H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid?
2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]phenyl]acetic acid is sourced from PubChem (CID 77086183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).