2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C15H16FN7O — CID 25169265

IUPAC2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1
InChIInChI=1S/C15H16FN7O/c1-8-5-19-15(21-13(8)20-12-4-9(2)22-23-12)24-10(3)14-17-6-11(16)7-18-14/h4-7,10H,1-3H3,(H2,19,20,21,22,23)/t10-/m0/s1
InChIKeyYUPBPMNPBWMSJU-JTQLQIEISA-N
MW329.34 g/mol
LogP2.63
Rot. Bonds5

About 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 25169265) has the molecular formula C15H16FN7O and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID25169265
Molecular FormulaC15H16FN7O
Molecular Weight329.34 g/mol
Exact Mass329.14
IUPAC Name2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1
InChIInChI=1S/C15H16FN7O/c1-8-5-19-15(21-13(8)20-12-4-9(2)22-23-12)24-10(3)14-17-6-11(16)7-18-14/h4-7,10H,1-3H3,(H2,19,20,21,22,23)/t10-/m0/s1
InChIKeyYUPBPMNPBWMSJU-JTQLQIEISA-N
XLogP2.63
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 25169265) is 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)ncc2C)n[nH]1.
What is the InChIKey of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is YUPBPMNPBWMSJU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN7O/c1-8-5-19-15(21-13(8)20-12-4-9(2)22-23-12)24-10(3)14-17-6-11(16)7-18-14/h4-7,10H,1-3H3,(H2,19,20,21,22,23)/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 329.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 25169265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).