5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C18H24N4O — CID 58006557

IUPAC5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1
InChIInChI=1S/C18H24N4O/c1-14(2)21-8-10-22(11-9-21)18-19-12-16(13-20-18)15-4-6-17(23-3)7-5-15/h4-7,12-14H,8-11H2,1-3H3
InChIKeyVKQGENGYKORNSA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.68
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 58006557) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID58006557
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1
InChIInChI=1S/C18H24N4O/c1-14(2)21-8-10-22(11-9-21)18-19-12-16(13-20-18)15-4-6-17(23-3)7-5-15/h4-7,12-14H,8-11H2,1-3H3
InChIKeyVKQGENGYKORNSA-UHFFFAOYSA-N
XLogP2.68
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 58006557) is 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is COc1ccc(-c2cnc(N3CCN(C(C)C)CC3)nc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is VKQGENGYKORNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)21-8-10-22(11-9-21)18-19-12-16(13-20-18)15-4-6-17(23-3)7-5-15/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 58006557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).