2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide

C13H23N5O3 — CID 126829727

IUPAC2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide
SMILESCOCCN(C)c1cc(C(N)=O)nc(N(C)CCOC)n1
InChIInChI=1S/C13H23N5O3/c1-17(5-7-20-3)11-9-10(12(14)19)15-13(16-11)18(2)6-8-21-4/h9H,5-8H2,1-4H3,(H2,14,19)
InChIKeyXGHONPNGEZKLEK-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.26
Rot. Bonds9

About 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide

2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide (PubChem CID 126829727) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide
PubChem CID126829727
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide
SMILESCOCCN(C)c1cc(C(N)=O)nc(N(C)CCOC)n1
InChIInChI=1S/C13H23N5O3/c1-17(5-7-20-3)11-9-10(12(14)19)15-13(16-11)18(2)6-8-21-4/h9H,5-8H2,1-4H3,(H2,14,19)
InChIKeyXGHONPNGEZKLEK-UHFFFAOYSA-N
XLogP-0.26
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide (CID 126829727) is 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide is COCCN(C)c1cc(C(N)=O)nc(N(C)CCOC)n1.
What is the InChIKey of 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide?
The InChIKey is XGHONPNGEZKLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-17(5-7-20-3)11-9-10(12(14)19)15-13(16-11)18(2)6-8-21-4/h9H,5-8H2,1-4H3,(H2,14,19).
What are the key properties of 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide?
2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of -0.26, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-methoxyethyl(methyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 126829727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).