(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

C23H24ClN5O — CID 50748493

IUPAC(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H24ClN5O/c1-16-7-9-18(10-8-16)27-21-15-22(26-17(2)25-21)28-11-13-29(14-12-28)23(30)19-5-3-4-6-20(19)24/h3-10,15H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyNRRUDNRCIUSKDG-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.45
Rot. Bonds4

About (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 50748493) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID50748493
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc(C)n2)cc1
InChIInChI=1S/C23H24ClN5O/c1-16-7-9-18(10-8-16)27-21-15-22(26-17(2)25-21)28-11-13-29(14-12-28)23(30)19-5-3-4-6-20(19)24/h3-10,15H,11-14H2,1-2H3,(H,25,26,27)
InChIKeyNRRUDNRCIUSKDG-UHFFFAOYSA-N
XLogP4.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 46267925
(2,5-dimethylphenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348584
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348887
[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122348603
3-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-2-one
CID 20896350
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348701
1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 50748323
6-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122348820
[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 122348779
3-methyl-1-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 50748360
2,1,3-benzothiadiazol-5-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122348649

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 50748493) is (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc(C)n2)cc1.
What is the InChIKey of (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is NRRUDNRCIUSKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O/c1-16-7-9-18(10-8-16)27-21-15-22(26-17(2)25-21)28-11-13-29(14-12-28)23(30)19-5-3-4-6-20(19)24/h3-10,15H,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 421.93 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 50748493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).