4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine

C18H15F3N4O — CID 19702794

IUPAC4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine
SMILESCc1ncncc1C(OCc1ccccc1)c1cncnc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O/c1-12-14(7-22-10-24-12)16(26-9-13-5-3-2-4-6-13)15-8-23-11-25-17(15)18(19,20)21/h2-8,10-11,16H,9H2,1H3
InChIKeySMHBTIDWXLEDCM-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.90
Rot. Bonds5

About 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine

4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine (PubChem CID 19702794) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine
PubChem CID19702794
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine
SMILESCc1ncncc1C(OCc1ccccc1)c1cncnc1C(F)(F)F
InChIInChI=1S/C18H15F3N4O/c1-12-14(7-22-10-24-12)16(26-9-13-5-3-2-4-6-13)15-8-23-11-25-17(15)18(19,20)21/h2-8,10-11,16H,9H2,1H3
InChIKeySMHBTIDWXLEDCM-UHFFFAOYSA-N
XLogP3.90
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine?
The IUPAC name of 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine (CID 19702794) is 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine.
What is the SMILES notation for 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine?
The canonical SMILES for 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine is Cc1ncncc1C(OCc1ccccc1)c1cncnc1C(F)(F)F.
What is the InChIKey of 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine?
The InChIKey is SMHBTIDWXLEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-12-14(7-22-10-24-12)16(26-9-13-5-3-2-4-6-13)15-8-23-11-25-17(15)18(19,20)21/h2-8,10-11,16H,9H2,1H3.
What are the key properties of 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine?
4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine has a molecular weight of 360.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[phenylmethoxy-[4-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrimidine is sourced from PubChem (CID 19702794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).