9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

C13H17N3O — CID 136841405

IUPAC9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCOc1ccc2nn3c(c2c1)NC(C)CC3C
InChIInChI=1S/C13H17N3O/c1-8-6-9(2)16-13(14-8)11-7-10(17-3)4-5-12(11)15-16/h4-5,7-9,14H,6H2,1-3H3
InChIKeyZZNFCAQMILOVJC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.81
Rot. Bonds1

About 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole

9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (PubChem CID 136841405) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
PubChem CID136841405
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
SMILESCOc1ccc2nn3c(c2c1)NC(C)CC3C
InChIInChI=1S/C13H17N3O/c1-8-6-9(2)16-13(14-8)11-7-10(17-3)4-5-12(11)15-16/h4-5,7-9,14H,6H2,1-3H3
InChIKeyZZNFCAQMILOVJC-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-9-methoxy-3-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 137012283
9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841401
9-methoxy-4-thiophen-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841410
2,3,5,7-tetramethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838061
(7S)-3-chloro-2-(6-methoxyquinolin-4-yl)-7-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235634
1-(4-chlorophenyl)-8-methoxy-4-methyl-3,4-dihydropyrazino[1,2-b]indazole
CID 71729819
2-methyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-9-amine
CID 136841448
6-methoxy-4-methyl-N-pyrrolidin-3-ylquinolin-2-amine
CID 67443498
3-(1,3-dithiolan-2-yl)-5-methoxy-2-(4-methoxyphenyl)indazole
CID 153368089
(5S,7R)-7-(2,4-dimethoxyphenyl)-2-(methoxymethyl)-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136854101
2-cyclopropyl-6-methoxyquinolin-4-amine
CID 63357972
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 124590384

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The IUPAC name of 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole (CID 136841405) is 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole.
What is the SMILES notation for 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The canonical SMILES for 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is COc1ccc2nn3c(c2c1)NC(C)CC3C.
What is the InChIKey of 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
The InChIKey is ZZNFCAQMILOVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-6-9(2)16-13(14-8)11-7-10(17-3)4-5-12(11)15-16/h4-5,7-9,14H,6H2,1-3H3.
What are the key properties of 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole?
9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole has a molecular weight of 231.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2,4-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole is sourced from PubChem (CID 136841405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).