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

C15H27N5O3 — CID 126829728

IUPAC2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide
SMILESCCN(CCOC)c1cc(C(N)=O)nc(N(CC)CCOC)n1
InChIInChI=1S/C15H27N5O3/c1-5-19(7-9-22-3)13-11-12(14(16)21)17-15(18-13)20(6-2)8-10-23-4/h11H,5-10H2,1-4H3,(H2,16,21)
InChIKeyLPGRQOHAUYFSNQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.52
Rot. Bonds11

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

2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide (PubChem CID 126829728) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide
PubChem CID126829728
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC Name2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide
SMILESCCN(CCOC)c1cc(C(N)=O)nc(N(CC)CCOC)n1
InChIInChI=1S/C15H27N5O3/c1-5-19(7-9-22-3)13-11-12(14(16)21)17-15(18-13)20(6-2)8-10-23-4/h11H,5-10H2,1-4H3,(H2,16,21)
InChIKeyLPGRQOHAUYFSNQ-UHFFFAOYSA-N
XLogP0.52
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide (CID 126829728) is 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide is CCN(CCOC)c1cc(C(N)=O)nc(N(CC)CCOC)n1.
What is the InChIKey of 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is LPGRQOHAUYFSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-5-19(7-9-22-3)13-11-12(14(16)21)17-15(18-13)20(6-2)8-10-23-4/h11H,5-10H2,1-4H3,(H2,16,21).
What are the key properties of 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide?
2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 0.52, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[ethyl(2-methoxyethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 126829728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).