2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid

C16H19N3O2 — CID 104572640

IUPAC2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(C(=O)O)c2ccnc(N(C)C)n2)c1
InChIInChI=1S/C16H19N3O2/c1-11-5-4-6-12(9-11)10-13(15(20)21)14-7-8-17-16(18-14)19(2)3/h4-9,13H,10H2,1-3H3,(H,20,21)
InChIKeyGPRHRPZSNBOIHH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.26
Rot. Bonds5

About 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid

2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid (PubChem CID 104572640) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
PubChem CID104572640
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(C(=O)O)c2ccnc(N(C)C)n2)c1
InChIInChI=1S/C16H19N3O2/c1-11-5-4-6-12(9-11)10-13(15(20)21)14-7-8-17-16(18-14)19(2)3/h4-9,13H,10H2,1-3H3,(H,20,21)
InChIKeyGPRHRPZSNBOIHH-UHFFFAOYSA-N
XLogP2.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
3-(3-methylphenyl)-2-(6-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 104572647
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572631
3-(3-methylphenyl)-2-(4-nitro-2-pyridinyl)propanoic acid
CID 104572614
2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
CID 59981449
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
CID 82020844
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
3-(3-chlorophenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573375
3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid
CID 113482995

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid (CID 104572640) is 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid is Cc1cccc(CC(C(=O)O)c2ccnc(N(C)C)n2)c1.
What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid?
The InChIKey is GPRHRPZSNBOIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-5-4-6-12(9-11)10-13(15(20)21)14-7-8-17-16(18-14)19(2)3/h4-9,13H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid?
2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid has a molecular weight of 285.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 104572640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).