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

C13H21N3O3 — CID 66320364

IUPACmethyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1cc(OCC)ncn1)C(=O)OC
InChIInChI=1S/C13H21N3O3/c1-5-7-13(3,12(17)18-4)16-10-8-11(19-6-2)15-9-14-10/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyMEKSEGMXFVMXBL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.02
Rot. Bonds7

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

methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate (PubChem CID 66320364) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
PubChem CID66320364
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1cc(OCC)ncn1)C(=O)OC
InChIInChI=1S/C13H21N3O3/c1-5-7-13(3,12(17)18-4)16-10-8-11(19-6-2)15-9-14-10/h8-9H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyMEKSEGMXFVMXBL-UHFFFAOYSA-N
XLogP2.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-2-(pyrimidin-4-ylamino)pentanoate
CID 62007006
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentanoate
CID 66326164
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 61226078
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
CID 115355512
methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate
CID 62006057
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66332496
2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 66328418
1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 104917606
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate (CID 66320364) is methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate is CCCC(C)(Nc1cc(OCC)ncn1)C(=O)OC.
What is the InChIKey of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate?
The InChIKey is MEKSEGMXFVMXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-7-13(3,12(17)18-4)16-10-8-11(19-6-2)15-9-14-10/h8-9H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate?
methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate has a molecular weight of 267.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-ethoxypyrimidin-4-yl)amino]-2-methylpentanoate is sourced from PubChem (CID 66320364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).