methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate

C14H24N4O2 — CID 80812557

IUPACmethyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate
SMILESCCNc1nc(C)nc(NC(C(=O)OC)C(C)C)c1C
InChIInChI=1S/C14H24N4O2/c1-7-15-12-9(4)13(17-10(5)16-12)18-11(8(2)3)14(19)20-6/h8,11H,7H2,1-6H3,(H2,15,16,17,18)
InChIKeyBXDIQWHUFDZKEL-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.13
Rot. Bonds6

About methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate

methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate (PubChem CID 80812557) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate
PubChem CID80812557
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate
SMILESCCNc1nc(C)nc(NC(C(=O)OC)C(C)C)c1C
InChIInChI=1S/C14H24N4O2/c1-7-15-12-9(4)13(17-10(5)16-12)18-11(8(2)3)14(19)20-6/h8,11H,7H2,1-6H3,(H2,15,16,17,18)
InChIKeyBXDIQWHUFDZKEL-UHFFFAOYSA-N
XLogP2.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate with MolForge

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Related Compounds

4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80813302
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbutanoate
CID 80791121
3-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098849
4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838415
3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
CID 106347482
methyl 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65268355
methyl 2-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 114043734
methyl 2-[[2-(ethylamino)-4-pyridinyl]amino]-3-methylbutanoate
CID 113367704
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277
methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80811791

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate (CID 80812557) is methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate is CCNc1nc(C)nc(NC(C(=O)OC)C(C)C)c1C.
What is the InChIKey of methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate?
The InChIKey is BXDIQWHUFDZKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-7-15-12-9(4)13(17-10(5)16-12)18-11(8(2)3)14(19)20-6/h8,11H,7H2,1-6H3,(H2,15,16,17,18).
What are the key properties of methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate?
methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate has a molecular weight of 280.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate is sourced from PubChem (CID 80812557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).