5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine

C13H18N6O2 — CID 145374317

IUPAC5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)nc1C
InChIInChI=1S/C13H18N6O2/c1-6(2)9-12(17-7(3)11(18-9)20-4)21-8-5-16-13(15)19-10(8)14/h5-6H,1-4H3,(H4,14,15,16,19)
InChIKeyPPVUVIIODNUORO-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.66
Rot. Bonds4

About 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine

5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine (PubChem CID 145374317) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine
PubChem CID145374317
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine
SMILESCOc1nc(C(C)C)c(Oc2cnc(N)nc2N)nc1C
InChIInChI=1S/C13H18N6O2/c1-6(2)9-12(17-7(3)11(18-9)20-4)21-8-5-16-13(15)19-10(8)14/h5-6H,1-4H3,(H4,14,15,16,19)
InChIKeyPPVUVIIODNUORO-UHFFFAOYSA-N
XLogP1.66
TPSA122.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine (CID 145374317) is 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine is COc1nc(C(C)C)c(Oc2cnc(N)nc2N)nc1C.
What is the InChIKey of 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine?
The InChIKey is PPVUVIIODNUORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-6(2)9-12(17-7(3)11(18-9)20-4)21-8-5-16-13(15)19-10(8)14/h5-6H,1-4H3,(H4,14,15,16,19).
What are the key properties of 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine?
5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine has a molecular weight of 290.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-6-methyl-3-propan-2-ylpyrazin-2-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 145374317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).