2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine

C18H24N4O — CID 117212249

IUPAC2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine
SMILESCOc1ccc(-c2ncc(N3CCNCC3)c(C(C)C)n2)cc1
InChIInChI=1S/C18H24N4O/c1-13(2)17-16(22-10-8-19-9-11-22)12-20-18(21-17)14-4-6-15(23-3)7-5-14/h4-7,12-13,19H,8-11H2,1-3H3
InChIKeyHVMQDPSPJDZKIC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine

2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine (PubChem CID 117212249) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine
PubChem CID117212249
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine
SMILESCOc1ccc(-c2ncc(N3CCNCC3)c(C(C)C)n2)cc1
InChIInChI=1S/C18H24N4O/c1-13(2)17-16(22-10-8-19-9-11-22)12-20-18(21-17)14-4-6-15(23-3)7-5-14/h4-7,12-13,19H,8-11H2,1-3H3
InChIKeyHVMQDPSPJDZKIC-UHFFFAOYSA-N
XLogP2.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine (CID 117212249) is 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine is COc1ccc(-c2ncc(N3CCNCC3)c(C(C)C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine?
The InChIKey is HVMQDPSPJDZKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)17-16(22-10-8-19-9-11-22)12-20-18(21-17)14-4-6-15(23-3)7-5-14/h4-7,12-13,19H,8-11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine?
2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-piperazin-1-yl-4-propan-2-ylpyrimidine is sourced from PubChem (CID 117212249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).