4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

C21H28N6O2 — CID 47001484

IUPAC4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1
InChIInChI=1S/C21H28N6O2/c1-16-5-3-4-6-18(16)24-21(28)27-9-7-25(8-10-27)19-15-20(23-17(2)22-19)26-11-13-29-14-12-26/h3-6,15H,7-14H2,1-2H3,(H,24,28)
InChIKeyBZGMZZCZSGLPDI-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.28
Rot. Bonds3

About 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide

4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 47001484) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID47001484
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1
InChIInChI=1S/C21H28N6O2/c1-16-5-3-4-6-18(16)24-21(28)27-9-7-25(8-10-27)19-15-20(23-17(2)22-19)26-11-13-29-14-12-26/h3-6,15H,7-14H2,1-2H3,(H,24,28)
InChIKeyBZGMZZCZSGLPDI-UHFFFAOYSA-N
XLogP2.28
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
N-(2,5-dimethylphenyl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748010
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122340812
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50947655
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122339942

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide (CID 47001484) is 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3C)CC2)n1.
What is the InChIKey of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is BZGMZZCZSGLPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-16-5-3-4-6-18(16)24-21(28)27-9-7-25(8-10-27)19-15-20(23-17(2)22-19)26-11-13-29-14-12-26/h3-6,15H,7-14H2,1-2H3,(H,24,28).
What are the key properties of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide?
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47001484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).