N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide

C20H27N5O2 — CID 109325248

IUPACN-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(NCCN2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C20H27N5O2/c1-3-25(17-7-5-4-6-8-17)19(26)18-15-16(2)22-20(23-18)21-9-10-24-11-13-27-14-12-24/h4-8,15H,3,9-14H2,1-2H3,(H,21,22,23)
InChIKeyQERDFZLOJWREFQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.20
Rot. Bonds7

About N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide

N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109325248) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109325248
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(NCCN2CCOCC2)n1)c1ccccc1
InChIInChI=1S/C20H27N5O2/c1-3-25(17-7-5-4-6-8-17)19(26)18-15-16(2)22-20(23-18)21-9-10-24-11-13-27-14-12-24/h4-8,15H,3,9-14H2,1-2H3,(H,21,22,23)
InChIKeyQERDFZLOJWREFQ-UHFFFAOYSA-N
XLogP2.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
6-methyl-2-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319463
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200
(2-methyl-2,3-dihydroindol-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325288
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325283
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325276
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325216
(2-ethylpiperidin-1-yl)-[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109325229
6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide (CID 109325248) is N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(NCCN2CCOCC2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is QERDFZLOJWREFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-25(17-7-5-4-6-8-17)19(26)18-15-16(2)22-20(23-18)21-9-10-24-11-13-27-14-12-24/h4-8,15H,3,9-14H2,1-2H3,(H,21,22,23).
What are the key properties of N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide?
N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).