4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine

C18H25N7O — CID 154575579

IUPAC4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccnc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-14-13-15(21-18(20-14)24-7-3-4-8-24)23-9-11-25(12-10-23)17-19-6-5-16(22-17)26-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyJGMHRMJPDCAQSC-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.51
Rot. Bonds4

About 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine

4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 154575579) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID154575579
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1ccnc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)n1
InChIInChI=1S/C18H25N7O/c1-14-13-15(21-18(20-14)24-7-3-4-8-24)23-9-11-25(12-10-23)17-19-6-5-16(22-17)26-2/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyJGMHRMJPDCAQSC-UHFFFAOYSA-N
XLogP1.51
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine (CID 154575579) is 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine is COc1ccnc(N2CCN(c3cc(C)nc(N4CCCC4)n3)CC2)n1.
What is the InChIKey of 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is JGMHRMJPDCAQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-14-13-15(21-18(20-14)24-7-3-4-8-24)23-9-11-25(12-10-23)17-19-6-5-16(22-17)26-2/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine?
4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 355.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 154575579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).