N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride

C20H26Cl3N5O2 — CID 52944291

IUPACN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride
SMILESCOc1c(C)nc(C)nc1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C20H25Cl2N5O2.ClH/c1-13-19(29-3)18(25-14(2)24-13)20(28)23-7-8-26-9-11-27(12-10-26)16-6-4-5-15(21)17(16)22;/h4-6H,7-12H2,1-3H3,(H,23,28);1H
InChIKeyLSXRPPLOEWTOFU-UHFFFAOYSA-N
MW474.82 g/mol
LogP3.38
Rot. Bonds6

About N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride

N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 52944291) has the molecular formula C20H26Cl3N5O2 and a molecular weight of 474.82 g/mol. Its IUPAC name is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride
PubChem CID52944291
Molecular FormulaC20H26Cl3N5O2
Molecular Weight474.82 g/mol
Exact Mass473.12
IUPAC NameN-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride
SMILESCOc1c(C)nc(C)nc1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
InChIInChI=1S/C20H25Cl2N5O2.ClH/c1-13-19(29-3)18(25-14(2)24-13)20(28)23-7-8-26-9-11-27(12-10-26)16-6-4-5-15(21)17(16)22;/h4-6H,7-12H2,1-3H3,(H,23,28);1H
InChIKeyLSXRPPLOEWTOFU-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.82
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride (CID 52944291) is N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride is COc1c(C)nc(C)nc1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl.
What is the InChIKey of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is LSXRPPLOEWTOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O2.ClH/c1-13-19(29-3)18(25-14(2)24-13)20(28)23-7-8-26-9-11-27(12-10-26)16-6-4-5-15(21)17(16)22;/h4-6H,7-12H2,1-3H3,(H,23,28);1H.
What are the key properties of N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 474.82 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 52944291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).