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

C11H16N4 — CID 144804370

IUPACethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine
SMILESCC.Cc1cnn(-c2nccc(C)n2)c1
InChIInChI=1S/C9H10N4.C2H6/c1-7-5-11-13(6-7)9-10-4-3-8(2)12-9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKRYRDHWPODVQQO-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.31
Rot. Bonds1

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

ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 144804370) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID144804370
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Nameethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine
SMILESCC.Cc1cnn(-c2nccc(C)n2)c1
InChIInChI=1S/C9H10N4.C2H6/c1-7-5-11-13(6-7)9-10-4-3-8(2)12-9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKRYRDHWPODVQQO-UHFFFAOYSA-N
XLogP2.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine (CID 144804370) is ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine is CC.Cc1cnn(-c2nccc(C)n2)c1.
What is the InChIKey of ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is KRYRDHWPODVQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.C2H6/c1-7-5-11-13(6-7)9-10-4-3-8(2)12-9;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine?
ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 144804370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).