2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine

C17H22N4O3 — CID 167110237

IUPAC2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3C(C)C)c(OC)nn2)c(OC)n1
InChIInChI=1S/C17H22N4O3/c1-9(2)10-6-11(10)12-7-14(20-21-16(12)23-4)13-8-18-17(24-5)19-15(13)22-3/h7-11H,6H2,1-5H3/t10-,11+/m1/s1
InChIKeyKDEJAJZIVCJNJM-MNOVXSKESA-N
MW330.39 g/mol
LogP2.72
Rot. Bonds6

About 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine

2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine (PubChem CID 167110237) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
PubChem CID167110237
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3C(C)C)c(OC)nn2)c(OC)n1
InChIInChI=1S/C17H22N4O3/c1-9(2)10-6-11(10)12-7-14(20-21-16(12)23-4)13-8-18-17(24-5)19-15(13)22-3/h7-11H,6H2,1-5H3/t10-,11+/m1/s1
InChIKeyKDEJAJZIVCJNJM-MNOVXSKESA-N
XLogP2.72
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diethoxy-5-[6-ethoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
CID 172683035
3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
CID 163289431
5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 149085949
3-but-1-ynyl-4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
CID 163289230
4-[4-[(2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-3-yl]-2-methylbut-3-yn-2-ol
CID 167062214
5-[5-[(1S,2S)-2-(fluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 163289385
6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-ethylcyclopropyl]pyridazin-3-amine
CID 172834022
8-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-2-ethylimidazo[1,2-b]pyridazine
CID 163216830
2-(2,4-dimethoxypyrimidin-5-yl)-5-fluoro-4-[2-(trifluoromethyl)cyclopropyl]pyrrolo[1,2-b]pyridazine
CID 163394429
4-[(E)-2-[(1R,2S)-2-[3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)pyridazin-4-yl]cyclopropyl]ethenyl]benzonitrile
CID 166999481
6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile
CID 163274093
7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
CID 167110304

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine (CID 167110237) is 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine is COc1ncc(-c2cc([C@H]3C[C@@H]3C(C)C)c(OC)nn2)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine?
The InChIKey is KDEJAJZIVCJNJM-MNOVXSKESA-N. The full InChI is InChI=1S/C17H22N4O3/c1-9(2)10-6-11(10)12-7-14(20-21-16(12)23-4)13-8-18-17(24-5)19-15(13)22-3/h7-11H,6H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine?
2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine is sourced from PubChem (CID 167110237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).