4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine

C12H12FN5 — CID 175732400

IUPAC4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine
SMILESNc1nnc(-c2cncnc2)cc1C1CC1CF
InChIInChI=1S/C12H12FN5/c13-3-7-1-9(7)10-2-11(17-18-12(10)14)8-4-15-6-16-5-8/h2,4-7,9H,1,3H2,(H2,14,18)
InChIKeyQZHCFELPYMAAEW-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.59
Rot. Bonds3

About 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine

4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine (PubChem CID 175732400) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine.

Molecular Properties

Compound Name4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine
PubChem CID175732400
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine
SMILESNc1nnc(-c2cncnc2)cc1C1CC1CF
InChIInChI=1S/C12H12FN5/c13-3-7-1-9(7)10-2-11(17-18-12(10)14)8-4-15-6-16-5-8/h2,4-7,9H,1,3H2,(H2,14,18)
InChIKeyQZHCFELPYMAAEW-UHFFFAOYSA-N
XLogP1.59
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclopropylethynyl)-6-(2,4-dideuteriopyrimidin-5-yl)-4-[(1S,2S)-2-(fluoromethyl)cyclopropyl]pyridazine
CID 175760785
2-[(1S,2S)-2-(3-chloro-6-pyrimidin-5-ylpyridazin-4-yl)cyclopropyl]propan-2-ol
CID 175727092
8-[(1R,2S)-2-benzylcyclopropyl]-6-pyrimidin-5-ylimidazo[1,2-b]pyridazine
CID 167436348
4-methyl-6-pyrimidin-5-ylpyrimidin-2-amine
CID 39760892
3-methyl-4-[(1S,2S)-2-(2-phenylethynyl)cyclopropyl]-6-pyrimidin-5-ylpyridazine
CID 175696139
6-chloro-4-[2-(trifluoromethyl)cyclopropyl]pyridazin-3-amine
CID 172746200
2-pyrimidin-5-ylpyrimidine-4,5-diamine
CID 175790998
[(1R)-2-pyrimidin-5-ylcyclopropyl]methanol
CID 146166086
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921950
2-fluoro-5-pyrimidin-5-ylaniline
CID 165490081
5-pyridin-4-yl-3-pyrimidin-5-ylpyridin-2-amine
CID 142799708
5-[6-chloro-5-[(1S,2R)-2-(2,2,2-trifluoroethyl)cyclopropyl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
CID 163289425

Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine?
The IUPAC name of 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine (CID 175732400) is 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine.
What is the SMILES notation for 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine?
The canonical SMILES for 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine is Nc1nnc(-c2cncnc2)cc1C1CC1CF.
What is the InChIKey of 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine?
The InChIKey is QZHCFELPYMAAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c13-3-7-1-9(7)10-2-11(17-18-12(10)14)8-4-15-6-16-5-8/h2,4-7,9H,1,3H2,(H2,14,18).
What are the key properties of 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine?
4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine has a molecular weight of 245.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)cyclopropyl]-6-pyrimidin-5-ylpyridazin-3-amine is sourced from PubChem (CID 175732400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).