N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide

C12H19N3O2 — CID 72871529

IUPACN,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CC)CCOC)cn1
InChIInChI=1S/C12H19N3O2/c1-4-11-13-8-10(9-14-11)12(16)15(5-2)6-7-17-3/h8-9H,4-7H2,1-3H3
InChIKeyYSOGOZQURXOASF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.15
Rot. Bonds6

About N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide

N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide (PubChem CID 72871529) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide
PubChem CID72871529
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CC)CCOC)cn1
InChIInChI=1S/C12H19N3O2/c1-4-11-13-8-10(9-14-11)12(16)15(5-2)6-7-17-3/h8-9H,4-7H2,1-3H3
InChIKeyYSOGOZQURXOASF-UHFFFAOYSA-N
XLogP1.15
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The IUPAC name of N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide (CID 72871529) is N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(CC)CCOC)cn1.
What is the InChIKey of N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The InChIKey is YSOGOZQURXOASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-11-13-8-10(9-14-11)12(16)15(5-2)6-7-17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-(2-methoxyethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72871529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).