2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine

C19H16FN7O — CID 56599390

IUPAC2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cnccn2)cc(-c2cnco2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN7O/c1-12(13-2-4-14(20)5-3-13)24-19-25-15(16-9-22-11-28-16)8-17(27-19)26-18-10-21-6-7-23-18/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
InChIKeyHFONCUIJJLPYDA-LBPRGKRZSA-N
MW377.38 g/mol
LogP3.98
Rot. Bonds6

About 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine

2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine (PubChem CID 56599390) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine
PubChem CID56599390
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine
SMILESC[C@H](Nc1nc(Nc2cnccn2)cc(-c2cnco2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN7O/c1-12(13-2-4-14(20)5-3-13)24-19-25-15(16-9-22-11-28-16)8-17(27-19)26-18-10-21-6-7-23-18/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
InChIKeyHFONCUIJJLPYDA-LBPRGKRZSA-N
XLogP3.98
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine (CID 56599390) is 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine is C[C@H](Nc1nc(Nc2cnccn2)cc(-c2cnco2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine?
The InChIKey is HFONCUIJJLPYDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16FN7O/c1-12(13-2-4-14(20)5-3-13)24-19-25-15(16-9-22-11-28-16)8-17(27-19)26-18-10-21-6-7-23-18/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine?
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine has a molecular weight of 377.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-(1,3-oxazol-5-yl)-4-N-pyrazin-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 56599390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).