methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate

C13H21N3O4 — CID 115355512

IUPACmethyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc(OC)cc(OC)n1)C(=O)OC
InChIInChI=1S/C13H21N3O4/c1-6-7-13(2,11(17)20-5)16-12-14-9(18-3)8-10(15-12)19-4/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCSHWYUYAORSFTQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.64
Rot. Bonds7

About methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate

methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate (PubChem CID 115355512) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
PubChem CID115355512
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namemethyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc(OC)cc(OC)n1)C(=O)OC
InChIInChI=1S/C13H21N3O4/c1-6-7-13(2,11(17)20-5)16-12-14-9(18-3)8-10(15-12)19-4/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyCSHWYUYAORSFTQ-UHFFFAOYSA-N
XLogP1.64
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate (CID 115355512) is methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate is CCCC(C)(Nc1nc(OC)cc(OC)n1)C(=O)OC.
What is the InChIKey of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate?
The InChIKey is CSHWYUYAORSFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-6-7-13(2,11(17)20-5)16-12-14-9(18-3)8-10(15-12)19-4/h8H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate?
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate has a molecular weight of 283.33 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate is sourced from PubChem (CID 115355512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).