5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine

C15H18F3N5O — CID 130474374

IUPAC5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine
SMILESCOc1cc(C(C)C)c(Nc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-7(2)8-4-12(24-3)9(15(16,17)18)5-10(8)22-11-6-21-14(20)23-13(11)19/h4-7,22H,1-3H3,(H4,19,20,21,23)
InChIKeyUYBIAHQVBKUZSH-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.54
Rot. Bonds4

About 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine

5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine (PubChem CID 130474374) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine
PubChem CID130474374
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine
SMILESCOc1cc(C(C)C)c(Nc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C15H18F3N5O/c1-7(2)8-4-12(24-3)9(15(16,17)18)5-10(8)22-11-6-21-14(20)23-13(11)19/h4-7,22H,1-3H3,(H4,19,20,21,23)
InChIKeyUYBIAHQVBKUZSH-UHFFFAOYSA-N
XLogP3.54
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine (CID 130474374) is 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine is COc1cc(C(C)C)c(Nc2cnc(N)nc2N)cc1C(F)(F)F.
What is the InChIKey of 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine?
The InChIKey is UYBIAHQVBKUZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-7(2)8-4-12(24-3)9(15(16,17)18)5-10(8)22-11-6-21-14(20)23-13(11)19/h4-7,22H,1-3H3,(H4,19,20,21,23).
What are the key properties of 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine?
5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine has a molecular weight of 341.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 130474374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).