N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide

C15H24N4O2 — CID 95825823

IUPACN-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-10-13(15(20)16-6-9-21-3)18-14(17-11)12-4-7-19(2)8-5-12/h10,12H,4-9H2,1-3H3,(H,16,20)
InChIKeyWMDRGXCHYNTCQQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.97
Rot. Bonds5

About N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide

N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide (PubChem CID 95825823) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
PubChem CID95825823
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C15H24N4O2/c1-11-10-13(15(20)16-6-9-21-3)18-14(17-11)12-4-7-19(2)8-5-12/h10,12H,4-9H2,1-3H3,(H,16,20)
InChIKeyWMDRGXCHYNTCQQ-UHFFFAOYSA-N
XLogP0.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide (CID 95825823) is N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide is COCCNC(=O)c1cc(C)nc(C2CCN(C)CC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The InChIKey is WMDRGXCHYNTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-10-13(15(20)16-6-9-21-3)18-14(17-11)12-4-7-19(2)8-5-12/h10,12H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 95825823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).