5-methyl-4-propan-2-yloxypyrimidine

C8H12N2O — CID 54127636

IUPAC5-methyl-4-propan-2-yloxypyrimidine
SMILESCc1cncnc1OC(C)C
InChIInChI=1S/C8H12N2O/c1-6(2)11-8-7(3)4-9-5-10-8/h4-6H,1-3H3
InChIKeyRSSMNAHJKDSYPU-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.57
Rot. Bonds2

About 5-methyl-4-propan-2-yloxypyrimidine

5-methyl-4-propan-2-yloxypyrimidine (PubChem CID 54127636) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name5-methyl-4-propan-2-yloxypyrimidine
PubChem CID54127636
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-methyl-4-propan-2-yloxypyrimidine
SMILESCc1cncnc1OC(C)C
InChIInChI=1S/C8H12N2O/c1-6(2)11-8-7(3)4-9-5-10-8/h4-6H,1-3H3
InChIKeyRSSMNAHJKDSYPU-UHFFFAOYSA-N
XLogP1.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yloxypyrimidine?
The IUPAC name of 5-methyl-4-propan-2-yloxypyrimidine (CID 54127636) is 5-methyl-4-propan-2-yloxypyrimidine.
What is the SMILES notation for 5-methyl-4-propan-2-yloxypyrimidine?
The canonical SMILES for 5-methyl-4-propan-2-yloxypyrimidine is Cc1cncnc1OC(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yloxypyrimidine?
The InChIKey is RSSMNAHJKDSYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)11-8-7(3)4-9-5-10-8/h4-6H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yloxypyrimidine?
5-methyl-4-propan-2-yloxypyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yloxypyrimidine is sourced from PubChem (CID 54127636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).