5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine

C13H15F3N6O2 — CID 130474372

IUPAC5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)nc1C(F)(F)F
InChIInChI=1S/C13H15F3N6O2/c1-5(2)7-10(24-6-4-19-12(18)22-9(6)17)21-8(13(14,15)16)11(20-7)23-3/h4-5H,1-3H3,(H4,17,18,19,22)
InChIKeyDPKWQZMHRWQMFM-UHFFFAOYSA-N
MW344.30 g/mol
LogP2.37
Rot. Bonds4

About 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine

5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine (PubChem CID 130474372) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine
PubChem CID130474372
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)nc1C(F)(F)F
InChIInChI=1S/C13H15F3N6O2/c1-5(2)7-10(24-6-4-19-12(18)22-9(6)17)21-8(13(14,15)16)11(20-7)23-3/h4-5H,1-3H3,(H4,17,18,19,22)
InChIKeyDPKWQZMHRWQMFM-UHFFFAOYSA-N
XLogP2.37
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine?
The IUPAC name of 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine (CID 130474372) is 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)nc1C(F)(F)F.
What is the InChIKey of 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine?
The InChIKey is DPKWQZMHRWQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c1-5(2)7-10(24-6-4-19-12(18)22-9(6)17)21-8(13(14,15)16)11(20-7)23-3/h4-5H,1-3H3,(H4,17,18,19,22).
What are the key properties of 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine?
5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine has a molecular weight of 344.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methoxy-3-propan-2-yl-6-(trifluoromethyl)pyrazin-2-yl]oxypyrimidine-2,4-diamine is sourced from PubChem (CID 130474372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).