4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine

C18H23N3O — CID 74230024

IUPAC4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine
SMILESCOCc1cc(-c2ccc(C(C)N3CCCC3)cc2)ncn1
InChIInChI=1S/C18H23N3O/c1-14(21-9-3-4-10-21)15-5-7-16(8-6-15)18-11-17(12-22-2)19-13-20-18/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3
InChIKeyKVJJFKBCDDZGQX-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.45
Rot. Bonds5

About 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine

4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine (PubChem CID 74230024) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine
PubChem CID74230024
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine
SMILESCOCc1cc(-c2ccc(C(C)N3CCCC3)cc2)ncn1
InChIInChI=1S/C18H23N3O/c1-14(21-9-3-4-10-21)15-5-7-16(8-6-15)18-11-17(12-22-2)19-13-20-18/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3
InChIKeyKVJJFKBCDDZGQX-UHFFFAOYSA-N
XLogP3.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine?
The IUPAC name of 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine (CID 74230024) is 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine?
The canonical SMILES for 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine is COCc1cc(-c2ccc(C(C)N3CCCC3)cc2)ncn1.
What is the InChIKey of 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine?
The InChIKey is KVJJFKBCDDZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(21-9-3-4-10-21)15-5-7-16(8-6-15)18-11-17(12-22-2)19-13-20-18/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine?
4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine has a molecular weight of 297.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine is sourced from PubChem (CID 74230024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).