4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid

C13H21N3O3 — CID 112634446

IUPAC4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
SMILESCCOc1cc(C)nc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-5-19-10-8-9(2)14-12(15-10)16-13(3,4)7-6-11(17)18/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyMGQINBXDQMFSDY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.24
Rot. Bonds7

About 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid

4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid (PubChem CID 112634446) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
PubChem CID112634446
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
SMILESCCOc1cc(C)nc(NC(C)(C)CCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-5-19-10-8-9(2)14-12(15-10)16-13(3,4)7-6-11(17)18/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyMGQINBXDQMFSDY-UHFFFAOYSA-N
XLogP2.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
4-methyl-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 122059072
4-ethoxy-N-(1-methoxy-2-methylpropan-2-yl)-6-methylpyrimidin-2-amine
CID 113470425
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793
4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]butanoic acid
CID 112634344
6-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 66332096
4,6-dimethyl-N-(2-methylpentan-2-yl)pyrimidin-2-amine
CID 115774026
4-ethoxy-6-methyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-2-amine
CID 112638194
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid (CID 112634446) is 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid is CCOc1cc(C)nc(NC(C)(C)CCC(=O)O)n1.
What is the InChIKey of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid?
The InChIKey is MGQINBXDQMFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-19-10-8-9(2)14-12(15-10)16-13(3,4)7-6-11(17)18/h8H,5-7H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid?
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 112634446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).