ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine

C11H16N4O — CID 144804368

IUPACethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine
SMILESCC.COc1ccnc(-n2cc(C)cn2)n1
InChIInChI=1S/C9H10N4O.C2H6/c1-7-5-11-13(6-7)9-10-4-3-8(12-9)14-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyOMIPEGYYXDJILP-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.01
Rot. Bonds2

About ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine

ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 144804368) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID144804368
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Nameethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine
SMILESCC.COc1ccnc(-n2cc(C)cn2)n1
InChIInChI=1S/C9H10N4O.C2H6/c1-7-5-11-13(6-7)9-10-4-3-8(12-9)14-2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyOMIPEGYYXDJILP-UHFFFAOYSA-N
XLogP2.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine (CID 144804368) is ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine is CC.COc1ccnc(-n2cc(C)cn2)n1.
What is the InChIKey of ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is OMIPEGYYXDJILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.C2H6/c1-7-5-11-13(6-7)9-10-4-3-8(12-9)14-2;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine?
ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 220.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-2-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 144804368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).