N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C16H19Cl2N5 — CID 112914114

IUPACN-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2Cl)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H19Cl2N5/c1-11-10-14(20-13-5-3-4-12(17)15(13)18)21-16(19-11)23-8-6-22(2)7-9-23/h3-5,10H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyAQECJHLJDKGUCN-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.59
Rot. Bonds3

About N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112914114) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112914114
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC NameN-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2Cl)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H19Cl2N5/c1-11-10-14(20-13-5-3-4-12(17)15(13)18)21-16(19-11)23-8-6-22(2)7-9-23/h3-5,10H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyAQECJHLJDKGUCN-UHFFFAOYSA-N
XLogP3.59
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914801
N-(2,3-dimethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914032
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
N-(2-chlorophenyl)-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112923923
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936397
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914107
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyrimidin-4-amine
CID 112914123
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923632
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
N-(2-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-4-amine
CID 112922979
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067
6-methyl-N-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112922247

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 112914114) is N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc(Nc2cccc(Cl)c2Cl)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is AQECJHLJDKGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c1-11-10-14(20-13-5-3-4-12(17)15(13)18)21-16(19-11)23-8-6-22(2)7-9-23/h3-5,10H,6-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 352.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112914114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).