2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide

C20H27N5O2 — CID 109366468

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2)cc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-16-23-18(20(26)22-9-10-25-11-13-27-14-12-25)15-19(24-16)21-8-7-17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyWALLDJYRHPSTAD-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.50
Rot. Bonds8

About 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109366468) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109366468
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2)cc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-16-23-18(20(26)22-9-10-25-11-13-27-14-12-25)15-19(24-16)21-8-7-17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyWALLDJYRHPSTAD-UHFFFAOYSA-N
XLogP1.50
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361
2-methyl-N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109362132
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
6-[2-(cyclohexen-1-yl)ethylamino]-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109364440
6-(3-chloroanilino)-2-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109366518
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
N-(3-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366425
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109366468) is 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1nc(NCCc2ccccc2)cc(C(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is WALLDJYRHPSTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-16-23-18(20(26)22-9-10-25-11-13-27-14-12-25)15-19(24-16)21-8-7-17-5-3-2-4-6-17/h2-6,15H,7-14H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109366468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).