2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

C12H20N2O2 — CID 901709

IUPAC2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ccnc(OC(C)(C)C)n1
InChIInChI=1S/C12H20N2O2/c1-11(2,3)15-9-7-8-13-10(14-9)16-12(4,5)6/h7-8H,1-6H3
InChIKeyHNFSYCIQTIXGSU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.83
Rot. Bonds2

About 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 901709) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID901709
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ccnc(OC(C)(C)C)n1
InChIInChI=1S/C12H20N2O2/c1-11(2,3)15-9-7-8-13-10(14-9)16-12(4,5)6/h7-8H,1-6H3
InChIKeyHNFSYCIQTIXGSU-UHFFFAOYSA-N
XLogP2.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (CID 901709) is 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ccnc(OC(C)(C)C)n1.
What is the InChIKey of 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is HNFSYCIQTIXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(2,3)15-9-7-8-13-10(14-9)16-12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 224.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 901709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).