5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine

C16H19FN4O2 — CID 151756356

IUPAC5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc([C@@H]3C[C@H]3CCF)c(C)nn2)c(OC)n1
InChIInChI=1S/C16H19FN4O2/c1-9-11(12-6-10(12)4-5-17)7-14(21-20-9)13-8-18-16(23-3)19-15(13)22-2/h7-8,10,12H,4-6H2,1-3H3/t10-,12-/m1/s1
InChIKeyRPPTWNXASIKORE-ZYHUDNBSSA-N
MW318.35 g/mol
LogP2.72
Rot. Bonds6

About 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine

5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine (PubChem CID 151756356) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
PubChem CID151756356
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
SMILESCOc1ncc(-c2cc([C@@H]3C[C@H]3CCF)c(C)nn2)c(OC)n1
InChIInChI=1S/C16H19FN4O2/c1-9-11(12-6-10(12)4-5-17)7-14(21-20-9)13-8-18-16(23-3)19-15(13)22-2/h7-8,10,12H,4-6H2,1-3H3/t10-,12-/m1/s1
InChIKeyRPPTWNXASIKORE-ZYHUDNBSSA-N
XLogP2.72
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine with MolForge

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Related Compounds

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
5-(3,5-difluorophenyl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 76281515
5-(2-fluoropyridin-4-yl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182129
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-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
CID 118430537
5-(2,6-difluorophenyl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 76280725
5-(4-fluoro-3-methylphenyl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 76281253
5-(3,4-difluorophenyl)-2-methyl-4-(((1S,2S)-2-(5-methylpyridin-2-yl)cyclopropyl)methoxy) pyrimidine
CID 90182149
2-(4-Benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
CID 118430398
2-(4-Benzyl-5-methyl-3-propan-2-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
CID 118430438
2-(4-Benzyl-3-methoxy-5-methylpyrazol-1-yl)-5-cyclopropylpyrimidine
CID 118430483
2-(3-Ethoxy-5-methyl-4-phenylpyrazol-1-yl)-5-ethylpyrimidine
CID 118430489

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The IUPAC name of 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine (CID 151756356) is 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine is COc1ncc(-c2cc([C@@H]3C[C@H]3CCF)c(C)nn2)c(OC)n1.
What is the InChIKey of 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
The InChIKey is RPPTWNXASIKORE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-9-11(12-6-10(12)4-5-17)7-14(21-20-9)13-8-18-16(23-3)19-15(13)22-2/h7-8,10,12H,4-6H2,1-3H3/t10-,12-/m1/s1.
What are the key properties of 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine?
5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine has a molecular weight of 318.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,2S)-2-(2-fluoroethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine is sourced from PubChem (CID 151756356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).