2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide

C20H26N6O2 — CID 109253956

IUPAC2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)Nc3ccccc3N3CCOCC3)cn2)CC1
InChIInChI=1S/C20H26N6O2/c1-24-6-8-26(9-7-24)20-21-14-16(15-22-20)19(27)23-17-4-2-3-5-18(17)25-10-12-28-13-11-25/h2-5,14-15H,6-13H2,1H3,(H,23,27)
InChIKeyVTOUSEGFGPYIKZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide

2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109253956) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109253956
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
SMILESCN1CCN(c2ncc(C(=O)Nc3ccccc3N3CCOCC3)cn2)CC1
InChIInChI=1S/C20H26N6O2/c1-24-6-8-26(9-7-24)20-21-14-16(15-22-20)19(27)23-17-4-2-3-5-18(17)25-10-12-28-13-11-25/h2-5,14-15H,6-13H2,1H3,(H,23,27)
InChIKeyVTOUSEGFGPYIKZ-UHFFFAOYSA-N
XLogP1.32
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253915
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109252285
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109250604
2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252305
N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110862325
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide (CID 109253956) is 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide is CN1CCN(c2ncc(C(=O)Nc3ccccc3N3CCOCC3)cn2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is VTOUSEGFGPYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-24-6-8-26(9-7-24)20-21-14-16(15-22-20)19(27)23-17-4-2-3-5-18(17)25-10-12-28-13-11-25/h2-5,14-15H,6-13H2,1H3,(H,23,27).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).