2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid

C13H13N3O2 — CID 62749098

IUPAC2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1ccncn1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c17-13(18)12(10-4-2-1-3-5-10)15-8-11-6-7-14-9-16-11/h1-7,9,12,15H,8H2,(H,17,18)
InChIKeyOMBPGWYMDRAPGN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.39
Rot. Bonds5

About 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid

2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid (PubChem CID 62749098) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
PubChem CID62749098
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1ccncn1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c17-13(18)12(10-4-2-1-3-5-10)15-8-11-6-7-14-9-16-11/h1-7,9,12,15H,8H2,(H,17,18)
InChIKeyOMBPGWYMDRAPGN-UHFFFAOYSA-N
XLogP1.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid
CID 84746841
2,2-dimethyl-1-phenyl-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759109
2-methoxy-1-phenyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110617
1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 62749247
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
CID 64772221
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid?
The IUPAC name of 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid (CID 62749098) is 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid?
The canonical SMILES for 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid is O=C(O)C(NCc1ccncn1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid?
The InChIKey is OMBPGWYMDRAPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)12(10-4-2-1-3-5-10)15-8-11-6-7-14-9-16-11/h1-7,9,12,15H,8H2,(H,17,18).
What are the key properties of 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid?
2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid has a molecular weight of 243.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid is sourced from PubChem (CID 62749098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).