4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid

C13H21N3O3 — CID 112634351

IUPAC4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
SMILESCc1cc(OC(C)C)nc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-11-8-10(3)14-13(15-11)16(4)7-5-6-12(17)18/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyHONHSRHWNJUHGC-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.87
Rot. Bonds7

About 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid

4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid (PubChem CID 112634351) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
PubChem CID112634351
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
SMILESCc1cc(OC(C)C)nc(N(C)CCCC(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-11-8-10(3)14-13(15-11)16(4)7-5-6-12(17)18/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyHONHSRHWNJUHGC-UHFFFAOYSA-N
XLogP1.87
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107207107
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
CID 115973161
N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635531
4-[(4-methoxypyrimidin-2-yl)-methylamino]butanoic acid
CID 43378933
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 112635420
4-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-methylamino]butanoic acid
CID 81050644
4-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]butanoic acid
CID 66331682

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid (CID 112634351) is 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid is Cc1cc(OC(C)C)nc(N(C)CCCC(=O)O)n1.
What is the InChIKey of 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid?
The InChIKey is HONHSRHWNJUHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)19-11-8-10(3)14-13(15-11)16(4)7-5-6-12(17)18/h8-9H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid?
4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid is sourced from PubChem (CID 112634351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).