4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine

C21H22FN5O — CID 67007634

IUPAC4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(OCC2CC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O/c1-14(16-4-6-17(22)7-5-16)25-19-10-18(28-13-15-2-3-15)11-20(26-19)27-21-12-23-8-9-24-21/h4-12,14-15H,2-3,13H2,1H3,(H2,24,25,26,27)/t14-/m0/s1
InChIKeyNKXITGRFNJGCIU-AWEZNQCLSA-N
MW379.44 g/mol
LogP4.72
Rot. Bonds8

About 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine

4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 67007634) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID67007634
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(OCC2CC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O/c1-14(16-4-6-17(22)7-5-16)25-19-10-18(28-13-15-2-3-15)11-20(26-19)27-21-12-23-8-9-24-21/h4-12,14-15H,2-3,13H2,1H3,(H2,24,25,26,27)/t14-/m0/s1
InChIKeyNKXITGRFNJGCIU-AWEZNQCLSA-N
XLogP4.72
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine (CID 67007634) is 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine is C[C@H](Nc1cc(OCC2CC2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is NKXITGRFNJGCIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-14(16-4-6-17(22)7-5-16)25-19-10-18(28-13-15-2-3-15)11-20(26-19)27-21-12-23-8-9-24-21/h4-12,14-15H,2-3,13H2,1H3,(H2,24,25,26,27)/t14-/m0/s1.
What are the key properties of 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine?
4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 379.44 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-6-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 67007634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).