2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine

C18H21FN8O3 — CID 25169266

IUPAC2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2cc(N3CCOCC3)nc(O[C@@H](C)c3ncc(F)cn3)n2)[nH]n1
InChIInChI=1S/C18H21FN8O3/c1-11(17-20-9-12(19)10-21-17)30-18-23-13(22-14-8-16(28-2)26-25-14)7-15(24-18)27-3-5-29-6-4-27/h7-11H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
InChIKeyRBZUAVQCEMSHEQ-NSHDSACASA-N
MW416.42 g/mol
LogP1.86
Rot. Bonds7

About 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine

2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 25169266) has the molecular formula C18H21FN8O3 and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID25169266
Molecular FormulaC18H21FN8O3
Molecular Weight416.42 g/mol
Exact Mass416.17
IUPAC Name2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2cc(N3CCOCC3)nc(O[C@@H](C)c3ncc(F)cn3)n2)[nH]n1
InChIInChI=1S/C18H21FN8O3/c1-11(17-20-9-12(19)10-21-17)30-18-23-13(22-14-8-16(28-2)26-25-14)7-15(24-18)27-3-5-29-6-4-27/h7-11H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1
InChIKeyRBZUAVQCEMSHEQ-NSHDSACASA-N
XLogP1.86
TPSA123.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine (CID 25169266) is 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine is COc1cc(Nc2cc(N3CCOCC3)nc(O[C@@H](C)c3ncc(F)cn3)n2)[nH]n1.
What is the InChIKey of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is RBZUAVQCEMSHEQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H21FN8O3/c1-11(17-20-9-12(19)10-21-17)30-18-23-13(22-14-8-16(28-2)26-25-14)7-15(24-18)27-3-5-29-6-4-27/h7-11H,3-6H2,1-2H3,(H2,22,23,24,25,26)/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine?
2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 416.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(3-methoxy-1H-pyrazol-5-yl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 25169266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).