2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid

C15H17N3O2 — CID 62108953

IUPAC2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1cc(NC(C(=O)O)c2ccccc2)ncn1
InChIInChI=1S/C15H17N3O2/c1-10(2)12-8-13(17-9-16-12)18-14(15(19)20)11-6-4-3-5-7-11/h3-10,14H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyTZHFYINMMGRYRF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.84
Rot. Bonds5

About 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid

2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid (PubChem CID 62108953) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
PubChem CID62108953
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1cc(NC(C(=O)O)c2ccccc2)ncn1
InChIInChI=1S/C15H17N3O2/c1-10(2)12-8-13(17-9-16-12)18-14(15(19)20)11-6-4-3-5-7-11/h3-10,14H,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyTZHFYINMMGRYRF-UHFFFAOYSA-N
XLogP2.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid (CID 62108953) is 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid is CC(C)c1cc(NC(C(=O)O)c2ccccc2)ncn1.
What is the InChIKey of 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is TZHFYINMMGRYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)12-8-13(17-9-16-12)18-14(15(19)20)11-6-4-3-5-7-11/h3-10,14H,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 62108953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).