(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone

C18H21Cl2N5O — CID 122340188

IUPAC(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C18H21Cl2N5O/c1-12-21-16(23(2)3)11-17(22-12)24-6-8-25(9-7-24)18(26)14-5-4-13(19)10-15(14)20/h4-5,10-11H,6-9H2,1-3H3
InChIKeyCCGHAJJFBKDJDV-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.12
Rot. Bonds3

About (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone

(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122340188) has the molecular formula C18H21Cl2N5O and a molecular weight of 394.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID122340188
Molecular FormulaC18H21Cl2N5O
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1
InChIInChI=1S/C18H21Cl2N5O/c1-12-21-16(23(2)3)11-17(22-12)24-6-8-25(9-7-24)18(26)14-5-4-13(19)10-15(14)20/h4-5,10-11H,6-9H2,1-3H3
InChIKeyCCGHAJJFBKDJDV-UHFFFAOYSA-N
XLogP3.12
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122340314
(2,4-dichlorophenyl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 53047592
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340265
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122340350
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
(2-chloro-4-fluorophenyl)-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 121031840
(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748492
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone
CID 56921174

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone (CID 122340188) is (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)n1.
What is the InChIKey of (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is CCGHAJJFBKDJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O/c1-12-21-16(23(2)3)11-17(22-12)24-6-8-25(9-7-24)18(26)14-5-4-13(19)10-15(14)20/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone?
(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 394.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122340188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).