4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine

C14H16N6 — CID 762995

IUPAC4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(-n3nc(C)cc3C)ncn2)n1
InChIInChI=1S/C14H16N6/c1-9-5-11(3)19(17-9)13-7-14(16-8-15-13)20-12(4)6-10(2)18-20/h5-8H,1-4H3
InChIKeyOXKRLWUWULGFSZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.08
Rot. Bonds2

About 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine

4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 762995) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID762995
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(-n3nc(C)cc3C)ncn2)n1
InChIInChI=1S/C14H16N6/c1-9-5-11(3)19(17-9)13-7-14(16-8-15-13)20-12(4)6-10(2)18-20/h5-8H,1-4H3
InChIKeyOXKRLWUWULGFSZ-UHFFFAOYSA-N
XLogP2.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine (CID 762995) is 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine is Cc1cc(C)n(-c2cc(-n3nc(C)cc3C)ncn2)n1.
What is the InChIKey of 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is OXKRLWUWULGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-9-5-11(3)19(17-9)13-7-14(16-8-15-13)20-12(4)6-10(2)18-20/h5-8H,1-4H3.
What are the key properties of 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine?
4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 268.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 762995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).