N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C19H25N5O2 — CID 109301473

IUPACN-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C19H25N5O2/c1-14-11-15(2)13-16(12-14)22-18(25)17-3-4-20-19(23-17)21-5-6-24-7-9-26-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyYTAVTUUXKPBZHT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.09
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109301473) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109301473
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(NCCN3CCOCC3)n2)c1
InChIInChI=1S/C19H25N5O2/c1-14-11-15(2)13-16(12-14)22-18(25)17-3-4-20-19(23-17)21-5-6-24-7-9-26-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyYTAVTUUXKPBZHT-UHFFFAOYSA-N
XLogP2.09
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
N-(2,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301529
N-(2-fluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301487
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325276
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301427
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463
4-(3,5-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207508
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674
N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325283
4-[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109301412

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109301473) is N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(NCCN3CCOCC3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is YTAVTUUXKPBZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-11-15(2)13-16(12-14)22-18(25)17-3-4-20-19(23-17)21-5-6-24-7-9-26-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,22,25)(H,20,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).