2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid

C14H23N3O3 — CID 115973161

IUPAC2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
SMILESCc1cc(OC(C)C)nc(N(CC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)20-11-7-10(3)15-13(16-11)17(8-12(18)19)14(4,5)6/h7,9H,8H2,1-6H3,(H,18,19)
InChIKeyOEYIZHRPFPAWEZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.26
Rot. Bonds5

About 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid

2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid (PubChem CID 115973161) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
PubChem CID115973161
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
SMILESCc1cc(OC(C)C)nc(N(CC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-9(2)20-11-7-10(3)15-13(16-11)17(8-12(18)19)14(4,5)6/h7,9H,8H2,1-6H3,(H,18,19)
InChIKeyOEYIZHRPFPAWEZ-UHFFFAOYSA-N
XLogP2.26
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[tert-butyl-(4-cyano-6-methylpyrimidin-2-yl)amino]acetic acid
CID 107543072
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
2-[butan-2-yl-(4-ethoxy-6-methylpyrimidin-2-yl)amino]acetic acid
CID 112634398
2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
CID 138687849
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635531
N-ethyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636791
methyl 2-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoate
CID 115973686

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid (CID 115973161) is 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid is Cc1cc(OC(C)C)nc(N(CC(=O)O)C(C)(C)C)n1.
What is the InChIKey of 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid?
The InChIKey is OEYIZHRPFPAWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)20-11-7-10(3)15-13(16-11)17(8-12(18)19)14(4,5)6/h7,9H,8H2,1-6H3,(H,18,19).
What are the key properties of 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid?
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 115973161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).