4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine

C11H14N4 — CID 165044366

IUPAC4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine
SMILESCc1nc(C(C)C)c2nncc(C)c2n1
InChIInChI=1S/C11H14N4/c1-6(2)9-11-10(14-8(4)13-9)7(3)5-12-15-11/h5-6H,1-4H3
InChIKeyOQLUKXGLMKOPHH-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.16
Rot. Bonds1

About 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine

4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine (PubChem CID 165044366) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine.

Molecular Properties

Compound Name4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine
PubChem CID165044366
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine
SMILESCc1nc(C(C)C)c2nncc(C)c2n1
InChIInChI=1S/C11H14N4/c1-6(2)9-11-10(14-8(4)13-9)7(3)5-12-15-11/h5-6H,1-4H3
InChIKeyOQLUKXGLMKOPHH-UHFFFAOYSA-N
XLogP2.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-propan-2-ylpyrimidine
CID 58806234
2,7,8-trimethyl-4,5-di(propan-2-yl)quinazoline
CID 170416126
2-methyl-4-propan-2-ylpyrimidin-5-amine
CID 82372486
2-methyl-4,5-di(propan-2-yl)pyrimidine
CID 59058770
8-fluoro-2-methyl-4-propan-2-ylquinazoline
CID 139473937
5-chloro-2-methyl-4-propan-2-ylpyrimidine
CID 147054546
ethane;5-fluoro-2-methyl-4-propan-2-ylpyrimidine
CID 177328154
2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
CID 59224821
2,3-di(propan-2-yl)pyrazino[2,3-d]pyridazine
CID 90442279
3-bromo-5-propan-2-yl-1,2,4-triazine
CID 105454049
ethane;5-methyl-3-propan-2-ylpyridazine
CID 144528094
2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 139481004

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine?
The IUPAC name of 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine (CID 165044366) is 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine.
What is the SMILES notation for 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine?
The canonical SMILES for 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine is Cc1nc(C(C)C)c2nncc(C)c2n1.
What is the InChIKey of 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine?
The InChIKey is OQLUKXGLMKOPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-6(2)9-11-10(14-8(4)13-9)7(3)5-12-15-11/h5-6H,1-4H3.
What are the key properties of 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine?
4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine has a molecular weight of 202.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-8-propan-2-ylpyrimido[5,4-c]pyridazine is sourced from PubChem (CID 165044366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).