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

C20H25ClN6O2 — CID 56921210

IUPACN-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(Cl)c1
InChIInChI=1S/C20H25ClN6O2/c1-15-2-3-17(16(21)12-15)24-20(28)27-6-4-25(5-7-27)18-13-19(23-14-22-18)26-8-10-29-11-9-26/h2-3,12-14H,4-11H2,1H3,(H,24,28)
InChIKeyCAVWDCHKMSZJKB-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.63
Rot. Bonds3

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

N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 56921210) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID56921210
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(Cl)c1
InChIInChI=1S/C20H25ClN6O2/c1-15-2-3-17(16(21)12-15)24-20(28)27-6-4-25(5-7-27)18-13-19(23-14-22-18)26-8-10-29-11-9-26/h2-3,12-14H,4-11H2,1H3,(H,24,28)
InChIKeyCAVWDCHKMSZJKB-UHFFFAOYSA-N
XLogP2.63
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
N-(2,5-dimethylphenyl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748010
N-(6-methyl-2-pyridinyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 154752851
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122345347
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
N-(3-chloro-4-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921239
N-(4-methoxy-2-methylphenyl)-4-(6-morpholin-4-ylpyridazin-4-yl)piperazine-1-carboxamide
CID 71807558
N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136527153
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 56921210) is N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is CAVWDCHKMSZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c1-15-2-3-17(16(21)12-15)24-20(28)27-6-4-25(5-7-27)18-13-19(23-14-22-18)26-8-10-29-11-9-26/h2-3,12-14H,4-11H2,1H3,(H,24,28).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 56921210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).