3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid

C17H22N4O2 — CID 67513119

IUPAC3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(CNc1cc(C(C)(C)C)nc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C17H22N4O2/c1-11(16(22)23)10-19-14-9-13(17(2,3)4)20-15(21-14)12-7-5-6-8-18-12/h5-9,11H,10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyJVUVQCDSPJWOFX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.97
Rot. Bonds5

About 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid

3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 67513119) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID67513119
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(CNc1cc(C(C)(C)C)nc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C17H22N4O2/c1-11(16(22)23)10-19-14-9-13(17(2,3)4)20-15(21-14)12-7-5-6-8-18-12/h5-9,11H,10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyJVUVQCDSPJWOFX-UHFFFAOYSA-N
XLogP2.97
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82169893
6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 70695604
2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-N-phenylpropanamide
CID 133311048
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 97018968
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380062

Frequently Asked Questions

What is the IUPAC name of 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid (CID 67513119) is 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid is CC(CNc1cc(C(C)(C)C)nc(-c2ccccn2)n1)C(=O)O.
What is the InChIKey of 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is JVUVQCDSPJWOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(16(22)23)10-19-14-9-13(17(2,3)4)20-15(21-14)12-7-5-6-8-18-12/h5-9,11H,10H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid?
3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 314.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 67513119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).