methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate

C12H20N4O3 — CID 66284658

IUPACmethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate
SMILESCOCCN(C)CCNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C12H20N4O3/c1-16(8-9-18-2)7-6-13-10-4-5-14-11(15-10)12(17)19-3/h4-5H,6-9H2,1-3H3,(H,13,14,15)
InChIKeyBMEBTMPKXYNYCM-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.25
Rot. Bonds8

About methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate

methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate (PubChem CID 66284658) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate
PubChem CID66284658
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Namemethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate
SMILESCOCCN(C)CCNc1ccnc(C(=O)OC)n1
InChIInChI=1S/C12H20N4O3/c1-16(8-9-18-2)7-6-13-10-4-5-14-11(15-10)12(17)19-3/h4-5H,6-9H2,1-3H3,(H,13,14,15)
InChIKeyBMEBTMPKXYNYCM-UHFFFAOYSA-N
XLogP0.25
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate (CID 66284658) is methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate is COCCN(C)CCNc1ccnc(C(=O)OC)n1.
What is the InChIKey of methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate?
The InChIKey is BMEBTMPKXYNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-16(8-9-18-2)7-6-13-10-4-5-14-11(15-10)12(17)19-3/h4-5H,6-9H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate?
methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66284658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).