ethane;2-propan-2-yloxypyrimidine

C9H16N2O — CID 159788973

IUPACethane;2-propan-2-yloxypyrimidine
SMILESCC.CC(C)Oc1ncccn1
InChIInChI=1S/C7H10N2O.C2H6/c1-6(2)10-7-8-4-3-5-9-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyNIHUDQQDAFJCSD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About ethane;2-propan-2-yloxypyrimidine

ethane;2-propan-2-yloxypyrimidine (PubChem CID 159788973) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;2-propan-2-yloxypyrimidine.

Molecular Properties

Compound Nameethane;2-propan-2-yloxypyrimidine
PubChem CID159788973
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;2-propan-2-yloxypyrimidine
SMILESCC.CC(C)Oc1ncccn1
InChIInChI=1S/C7H10N2O.C2H6/c1-6(2)10-7-8-4-3-5-9-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyNIHUDQQDAFJCSD-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yloxypyrimidine?
The IUPAC name of ethane;2-propan-2-yloxypyrimidine (CID 159788973) is ethane;2-propan-2-yloxypyrimidine.
What is the SMILES notation for ethane;2-propan-2-yloxypyrimidine?
The canonical SMILES for ethane;2-propan-2-yloxypyrimidine is CC.CC(C)Oc1ncccn1.
What is the InChIKey of ethane;2-propan-2-yloxypyrimidine?
The InChIKey is NIHUDQQDAFJCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-6(2)10-7-8-4-3-5-9-7;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yloxypyrimidine?
ethane;2-propan-2-yloxypyrimidine has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yloxypyrimidine is sourced from PubChem (CID 159788973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).