2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

C19H25N5O2 — CID 109253182

IUPAC2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(NCCN2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C19H25N5O2/c1-15(16-5-3-2-4-6-16)23-18(25)17-13-21-19(22-14-17)20-7-8-24-9-11-26-12-10-24/h2-6,13-15H,7-12H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyOOMHQRAALYTUNW-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.71
Rot. Bonds7

About 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide

2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 109253182) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
PubChem CID109253182
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
SMILESCC(NC(=O)c1cnc(NCCN2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C19H25N5O2/c1-15(16-5-3-2-4-6-16)23-18(25)17-13-21-19(22-14-17)20-7-8-24-9-11-26-12-10-24/h2-6,13-15H,7-12H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyOOMHQRAALYTUNW-UHFFFAOYSA-N
XLogP1.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide (CID 109253182) is 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is CC(NC(=O)c1cnc(NCCN2CCOCC2)nc1)c1ccccc1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is OOMHQRAALYTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15(16-5-3-2-4-6-16)23-18(25)17-13-21-19(22-14-17)20-7-8-24-9-11-26-12-10-24/h2-6,13-15H,7-12H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide?
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).