4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine

C15H16F2N4O2 — CID 151436013

IUPAC4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3C(F)F)c(C)nn2)c(OC)n1
InChIInChI=1S/C15H16F2N4O2/c1-7-8(9-4-10(9)13(16)17)5-12(21-20-7)11-6-18-15(23-3)19-14(11)22-2/h5-6,9-10,13H,4H2,1-3H3/t9-,10+/m1/s1
InChIKeyPDMWYFJWQXSWRH-ZJUUUORDSA-N
MW322.32 g/mol
LogP2.63
Rot. Bonds5

About 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine

4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine (PubChem CID 151436013) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine.

Molecular Properties

Compound Name4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine
PubChem CID151436013
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3C(F)F)c(C)nn2)c(OC)n1
InChIInChI=1S/C15H16F2N4O2/c1-7-8(9-4-10(9)13(16)17)5-12(21-20-7)11-6-18-15(23-3)19-14(11)22-2/h5-6,9-10,13H,4H2,1-3H3/t9-,10+/m1/s1
InChIKeyPDMWYFJWQXSWRH-ZJUUUORDSA-N
XLogP2.63
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine with MolForge

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Related Compounds

2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)-5-(3-(trifluoromethyl)pyridin-4-yl)pyrimidine
CID 76280987
2-Methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy)-5-(3-(trifluoromethyl)phenyl)pyrimidine
CID 76281517
5-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182205
2-methyl-4-(((1S,2S)-2-(pyridin-2-yl)cyclopropyl)methoxy)-5-(6-(trifluoromethyl)pyridin-3-yl)pyrimidine
CID 90182173
2-(4-Benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine
CID 118430483
3-methyl-5-(2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidin-5-yl)pyridazine
CID 76280724
N'-[6-(2,4-dimethoxypyrimidin-5-yl)-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 172435422
US20240043427, Example 271
CID 157034725
2-{3-[3-(2,4-dimethoxy-5-pyrimidinyl)phenyl]-1H-pyrazol-1-yl}ethanol
CID 28077959
2,4-dimethoxy-5-[3-(1H-pyrazol-3-yl)phenyl]pyrimidine
CID 29182998
4-(2-Methoxypyridin-3-yl)-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 56711181
2,4-dimethoxy-5-[4-(1H-pyrazol-5-yl)phenyl]pyrimidine
CID 56723142

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine?
The IUPAC name of 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine (CID 151436013) is 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine.
What is the SMILES notation for 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine?
The canonical SMILES for 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine is COc1ncc(-c2cc([C@H]3C[C@@H]3C(F)F)c(C)nn2)c(OC)n1.
What is the InChIKey of 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine?
The InChIKey is PDMWYFJWQXSWRH-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-7-8(9-4-10(9)13(16)17)5-12(21-20-7)11-6-18-15(23-3)19-14(11)22-2/h5-6,9-10,13H,4H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine?
4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine has a molecular weight of 322.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazine is sourced from PubChem (CID 151436013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).