methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate

C14H23N3O2 — CID 107816442

IUPACmethyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
SMILESCCCCC(CC)CNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C14H23N3O2/c1-4-6-7-11(5-2)10-16-12-8-9-15-13(17-12)14(18)19-3/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17)
InChIKeyXTPAZMABUCJLQY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.89
Rot. Bonds8

About methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate

methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate (PubChem CID 107816442) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
PubChem CID107816442
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namemethyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
SMILESCCCCC(CC)CNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C14H23N3O2/c1-4-6-7-11(5-2)10-16-12-8-9-15-13(17-12)14(18)19-3/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17)
InChIKeyXTPAZMABUCJLQY-UHFFFAOYSA-N
XLogP2.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-2-(2-ethylhexylamino)pyridine-4-carboxylate
CID 107817832
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
CID 66287417
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-2-carboxylate
CID 106254630
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate
CID 66286242
methyl 1-(2-ethylhexyl)-1,2,4-triazole-3-carboxylate
CID 78955709
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
methyl 4-(pent-3-ynylamino)pyrimidine-2-carboxylate
CID 116644639
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate (CID 107816442) is methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate is CCCCC(CC)CNc1ccnc(C(=O)OC)n1.
What is the InChIKey of methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate?
The InChIKey is XTPAZMABUCJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-6-7-11(5-2)10-16-12-8-9-15-13(17-12)14(18)19-3/h8-9,11H,4-7,10H2,1-3H3,(H,15,16,17).
What are the key properties of methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate?
methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 107816442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).