methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate

C10H15N3O2 — CID 66284543

IUPACmethyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate
SMILESCCNc1cc(CC)nc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O2/c1-4-7-6-8(11-5-2)13-9(12-7)10(14)15-3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyRXWBWLAVAWEMFM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.26
Rot. Bonds4

About methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate

methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate (PubChem CID 66284543) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate
PubChem CID66284543
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate
SMILESCCNc1cc(CC)nc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O2/c1-4-7-6-8(11-5-2)13-9(12-7)10(14)15-3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyRXWBWLAVAWEMFM-UHFFFAOYSA-N
XLogP1.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate (CID 66284543) is methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate is CCNc1cc(CC)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate?
The InChIKey is RXWBWLAVAWEMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-7-6-8(11-5-2)13-9(12-7)10(14)15-3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate?
methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-6-(ethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66284543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).