N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C21H27Cl2N5O — CID 24589360

IUPACN-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H27Cl2N5O/c1-14(2)21-24-15(3)12-19(26-21)28-10-8-27(9-11-28)7-6-20(29)25-18-13-16(22)4-5-17(18)23/h4-5,12-14H,6-11H2,1-3H3,(H,25,29)
InChIKeyOYGIDYUHPMDBPL-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.37
Rot. Bonds6

About N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 24589360) has the molecular formula C21H27Cl2N5O and a molecular weight of 436.39 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID24589360
Molecular FormulaC21H27Cl2N5O
Molecular Weight436.39 g/mol
Exact Mass435.16
IUPAC NameN-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCc1cc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1
InChIInChI=1S/C21H27Cl2N5O/c1-14(2)21-24-15(3)12-19(26-21)28-10-8-27(9-11-28)7-6-20(29)25-18-13-16(22)4-5-17(18)23/h4-5,12-14H,6-11H2,1-3H3,(H,25,29)
InChIKeyOYGIDYUHPMDBPL-UHFFFAOYSA-N
XLogP4.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 24589360) is N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1cc(N2CCN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)nc(C(C)C)n1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is OYGIDYUHPMDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N5O/c1-14(2)21-24-15(3)12-19(26-21)28-10-8-27(9-11-28)7-6-20(29)25-18-13-16(22)4-5-17(18)23/h4-5,12-14H,6-11H2,1-3H3,(H,25,29).
What are the key properties of N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 436.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 24589360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).