5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine

C12H16FN5O — CID 137344237

IUPAC5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
SMILESCCC(Nc1ncc(F)c(OC)n1)c1ccnn1C
InChIInChI=1S/C12H16FN5O/c1-4-9(10-5-6-15-18(10)2)16-12-14-7-8(13)11(17-12)19-3/h5-7,9H,4H2,1-3H3,(H,14,16,17)
InChIKeyZELPQVVLYUJLHL-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.92
Rot. Bonds5

About 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine (PubChem CID 137344237) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
PubChem CID137344237
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine
SMILESCCC(Nc1ncc(F)c(OC)n1)c1ccnn1C
InChIInChI=1S/C12H16FN5O/c1-4-9(10-5-6-15-18(10)2)16-12-14-7-8(13)11(17-12)19-3/h5-7,9H,4H2,1-3H3,(H,14,16,17)
InChIKeyZELPQVVLYUJLHL-UHFFFAOYSA-N
XLogP1.92
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 51105077
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 51105138
N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56867835
(7S)-2-(2-methoxyethyl)-N-(4-methoxypyrimidin-2-yl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346494
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methoxypyrimidin-2-amine
CID 136575145
4-methoxy-N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrimidin-2-amine
CID 164638283
4-[(1-Ethyl-5-fluoropyrazol-4-yl)methyl]-6-methoxy-2-piperazin-1-ylpyrimidine
CID 177664240
N-(4,4-difluorocyclohexyl)-4-methoxy-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine
CID 132206704
2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine
CID 132207284
N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethoxy)pyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132207294
N-(4,4-difluorocyclohexyl)-2-(3-methoxypyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 132207303

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine (CID 137344237) is 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine is CCC(Nc1ncc(F)c(OC)n1)c1ccnn1C.
What is the InChIKey of 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
The InChIKey is ZELPQVVLYUJLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-4-9(10-5-6-15-18(10)2)16-12-14-7-8(13)11(17-12)19-3/h5-7,9H,4H2,1-3H3,(H,14,16,17).
What are the key properties of 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine has a molecular weight of 265.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 137344237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).